azanium; 1-azanylpropane-2-sulfonate; 2-[methyl-[(E)-octadec-9-enoyl]amino]ethanesulfonate

Systemtic Name: azanium; 1-azanylpropane-2-sulfonate; 2-[methyl-[(E)-octadec-9-enoyl]amino]ethanesulfonate Openeye Name: ammonium; 1-aminopropane-2-sulfonate; 2-[methyl-[(E)-octadec-9-enoyl]amino]ethanesulfonate CAS Name: ammonium; 1-amino-2-propanesulfonate; 2-[methyl-[(E)-1-oxooctadec-9-enyl]amino]ethanesulfonate IUPAC Name: azanium; 1-aminopropane-2-sulfonate; 2-[methyl-[(E)-octadec-9-enoyl]amino]ethanesulfonate Traditional Name: ammonium; 1-aminopropane-2-sulfonate; 2-[methyl-[(E)-octadec-9-enoyl]amino]ethanesulfonate Formula: C24H52N3O7S2- MolecularWeight: 558.81558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H41NO4S.C3H9NO3S.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;1-3(2-4)8(5,6)7;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);3H,2,4H2,1H3,(H,5,6,7);1H3/p-1/b11-10+;;