1-adamantyl-[2-[3-[2-(1-adamantyl-dimethyl-ammonio)ethoxycarbonyl]propanoyloxy]ethyl]-dimethyl-azanium; 4-methylbenzenesulfonate
Molecular Formula:
C46H68N2O10S2
InChI: InChI=1/C32H54N2O4.2C7H8O3S/c1-33(2,31-17-23-11-24(18-31)13-25(12-23)19-31)7-9-37-29(35)5-6-30(36)38-10-8-34(3,4)32-20-26-14-27(21-32)16-28(15-26)22-32;2*1-6-2-4-7(5-3-6)11(8,9)10/h23-28H,5-22H2,1-4H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2/fC32H54N2O4.2C7H7O3S/qm;2*-1
InChIKey: InChIKey=HKAFZYSHPHEBKV-FALYKDJXCO
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(CCOC(=O)CCC(=O)OCC[N+](C)(C)C12CC3CC(C1)CC(C3)C2)C45CC6CC(C4)CC(C6)C5
Names:
1-adamantyl-[2-[3-[2-(1-adamantyl-dimethyl-ammonio)ethoxycarbonyl]propanoyloxy]ethyl]-dimethyl-azanium; 4-methylbenzenesulfonate
Registries:
PubChem CID 155570
PubChem ID 10252665
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