Hemicholinium-3
Molecular Formula:
C
24
H
34
BrN
2
O
4
+
InChI:
InChI=1/C24H34N2O4.BrH/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24;/h5-12,27-28H,13-18H2,1-4H3;1H/q+2;/p-1/fC24H34N2O4.Br/h;1h/qm;-1
InChIKey:
InChIKey=ARXXVGWZTGMMTQ-LQFOPBDYCD
SMILES:
C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(C[N+](CCO4)(C)C)O)O)C.[Br-]
Names:
Hemicholinium-3
MLS000028391
SMR000058619
2-[4-[4-(2-hydroxy-4,4-dimethyl-1-oxa-4-azoniacyclohex-2-yl)phenyl]phenyl]-4,4-dimethyl-1-oxa-4-azoniacyclohexan-2-ol bromide
Registries:
PubChem CID 6852385
PubChem ID 11532923