dimethyl-[(E)-octadec-2-enoyl]-(3-sulfopropyl)azanium

Systemtic Name: dimethyl-[(E)-octadec-2-enoyl]-(3-sulfopropyl)azanium Openeye Name: dimethyl-[(E)-octadec-2-enoyl]-(3-sulfopropyl)ammonium CAS Name: dimethyl-[(E)-1-oxooctadec-2-enyl]-(3-sulfopropyl)ammonium IUPAC Name: dimethyl-[(E)-octadec-2-enoyl]-(3-sulfopropyl)azanium Traditional Name: dimethyl-[(E)-octadec-2-enoyl]-(3-sulfopropyl)ammonium Formula: C23H46NO4S+ MolecularWeight: 432.68064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC(=O)[N+](C)(C)CCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C(=O)[N+](C)(C)CCCS(=O)(=O)O

InChI

InChI=1S/C23H45NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)24(2,3)21-19-22-29(26,27)28/h18,20H,4-17,19,21-22H2,1-3H3/p+1/b20-18+