azanium 2-[methyl-[(E)-octadec-9-enoyl]amino]ethanesulfonate

Systemtic Name: azanium 2-[methyl-[(E)-octadec-9-enoyl]amino]ethanesulfonate Openeye Name: ammonium 2-[methyl-[(E)-octadec-9-enoyl]amino]ethanesulfonate CAS Name: ammonium 2-[methyl-[(E)-1-oxooctadec-9-enyl]amino]ethanesulfonate IUPAC Name: azanium 2-[methyl-[(E)-octadec-9-enoyl]amino]ethanesulfonate Traditional Name: ammonium 2-[methyl-[(E)-octadec-9-enoyl]amino]ethanesulfonate Formula: C21H44N2O4S MolecularWeight: 420.65006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)N(C)CCS(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C21H41NO4S.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);1H3/b11-10+;