dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-5-sulfo-pentan-2-yl)-[1-(octadecanoylamino)ethyl]azanium

Systemtic Name: dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-5-sulfo-pentan-2-yl)-[1-(octadecanoylamino)ethyl]azanium Openeye Name: (1-carboxy-1-methyl-4-sulfo-butyl)-dimethyl-[1-(octadecanoylamino)ethyl]ammonium CAS Name: (1-hydroxy-2-methyl-1-oxo-5-sulfopentan-2-yl)-dimethyl-[1-(1-oxooctadecylamino)ethyl]ammonium IUPAC Name: (1-hydroxy-2-methyl-1-oxo-5-sulfopentan-2-yl)-dimethyl-[1-(octadecanoylamino)ethyl]azanium Traditional Name: (1-carboxy-1-methyl-4-sulfo-butyl)-dimethyl-(1-stearamidoethyl)ammonium Formula: C28H57N2O6S+ MolecularWeight: 549.82698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(C)[N+](C)(C)C(C)(CCCS(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(C)[N+](C)(C)C(C)(CCCS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C28H56N2O6S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26(31)29-25(2)30(4,5)28(3,27(32)33)23-21-24-37(34,35)36/h25H,6-24H2,1-5H3,(H2-,29,31,32,33,34,35,36)/p+1