(E)-[3-methyl-4-(2-methylpropoxy)phenyl]-[1-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]-4,5-dioxo-2-thiophen-2-yl-pyrrolidin-3-ylidene]methanolate

Molecular Formula: C27H34N2O5S


InChI: InChI=1/C27H34N2O5S/c1-18(2)17-34-21-8-7-20(16-19(21)3)25(30)23-24(22-6-4-15-35-22)29(27(32)26(23)31)10-5-9-28-11-13-33-14-12-28/h4,6-8,15-16,18,24,30H,5,9-14,17H2,1-3H3/b25-23+/f/h30h,28H

InChIKey: InChIKey=IZSMOCGNHFYBMW-YDAPSFDWDL
SMILES: CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=CS4)[O-])OCC(C)C

Names:
    (E)-[3-methyl-4-(2-methylpropoxy)phenyl]-[1-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]-4,5-dioxo-2-thiophen-2-yl-pyrrolidin-3-ylidene]methanolate

Registries:
    PubChem CID 6280347
    PubChem ID 11586669