trimethyl-(1-oxidanyl-1-oxidanylidene-3-propan-2-yl-3-sulfo-pentadecan-2-yl)azanium

Systemtic Name: trimethyl-(1-oxidanyl-1-oxidanylidene-3-propan-2-yl-3-sulfo-pentadecan-2-yl)azanium Openeye Name: (1-carboxy-2-isopropyl-2-sulfo-tetradecyl)-trimethyl-ammonium CAS Name: (1-hydroxy-1-oxo-3-propan-2-yl-3-sulfopentadecan-2-yl)-trimethylammonium IUPAC Name: (1-hydroxy-1-oxo-3-propan-2-yl-3-sulfopentadecan-2-yl)-trimethylazanium Traditional Name: (1-carboxy-2-isopropyl-2-sulfo-tetradecyl)-trimethyl-ammonium Formula: C21H44NO5S+ MolecularWeight: 422.64276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(C)C)(C(C(=O)O)[N+](C)(C)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(C(C)C)(C(C(=O)O)[N+](C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C21H43NO5S/c1-7-8-9-10-11-12-13-14-15-16-17-21(18(2)3,28(25,26)27)19(20(23)24)22(4,5)6/h18-19H,7-17H2,1-6H3,(H-,23,24,25,26,27)/p+1