dimethyl-[(octadecanoylamino)methyl]-(1-oxidanyl-1-oxidanylidene-2-sulfo-pentan-2-yl)azanium

Systemtic Name: dimethyl-[(octadecanoylamino)methyl]-(1-oxidanyl-1-oxidanylidene-2-sulfo-pentan-2-yl)azanium Openeye Name: (1-carboxy-1-sulfo-butyl)-dimethyl-[(octadecanoylamino)methyl]ammonium CAS Name: (1-hydroxy-1-oxo-2-sulfopentan-2-yl)-dimethyl-[(1-oxooctadecylamino)methyl]ammonium IUPAC Name: (1-hydroxy-1-oxo-2-sulfopentan-2-yl)-dimethyl-[(octadecanoylamino)methyl]azanium Traditional Name: (1-carboxy-1-sulfo-butyl)-dimethyl-(stearamidomethyl)ammonium Formula: C26H53N2O6S+ MolecularWeight: 521.77382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC[N+](C)(C)C(CCC)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC[N+](C)(C)C(CCC)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H52N2O6S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(29)27-23-28(3,4)26(22-6-2,25(30)31)35(32,33)34/h5-23H2,1-4H3,(H2-,27,29,30,31,32,33,34)/p+1