dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-4-sulfo-butan-2-yl)-tetradecan-2-yl-azanium

Systemtic Name: dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-4-sulfo-butan-2-yl)-tetradecan-2-yl-azanium Openeye Name: (1-carboxy-1-methyl-3-sulfo-propyl)-dimethyl-(1-methyltridecyl)ammonium CAS Name: (1-hydroxy-2-methyl-1-oxo-4-sulfobutan-2-yl)-dimethyl-tetradecan-2-ylammonium IUPAC Name: (1-hydroxy-2-methyl-1-oxo-4-sulfobutan-2-yl)-dimethyl-tetradecan-2-ylazanium Traditional Name: (1-carboxy-1-methyl-3-sulfo-propyl)-dimethyl-(1-methyltridecyl)ammonium Formula: C21H44NO5S+ MolecularWeight: 422.64276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H43NO5S/c1-6-7-8-9-10-11-12-13-14-15-16-19(2)22(4,5)21(3,20(23)24)17-18-28(25,26)27/h19H,6-18H2,1-5H3,(H-,23,24,25,26,27)/p+1