[4,4-dimethyl-3-[(octadecylamino)methyl]-1-oxidanyl-1-oxidanylidene-3-sulfo-pentan-2-yl]-trimethyl-azanium

Systemtic Name: [4,4-dimethyl-3-[(octadecylamino)methyl]-1-oxidanyl-1-oxidanylidene-3-sulfo-pentan-2-yl]-trimethyl-azanium Openeye Name: [1-carboxy-3,3-dimethyl-2-[(octadecylamino)methyl]-2-sulfo-butyl]-trimethyl-ammonium CAS Name: [1-hydroxy-4,4-dimethyl-3-[(octadecylamino)methyl]-1-oxo-3-sulfopentan-2-yl]-trimethylammonium IUPAC Name: [1-hydroxy-4,4-dimethyl-3-[(octadecylamino)methyl]-1-oxo-3-sulfopentan-2-yl]-trimethylazanium Traditional Name: [1-carboxy-3,3-dimethyl-2-[(stearylamino)methyl]-2-sulfo-butyl]-trimethyl-ammonium Formula: C29H61N2O5S+ MolecularWeight: 549.87004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H60N2O5S/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30-25-29(28(2,3)4,37(34,35)36)26(27(32)33)31(5,6)7/h26,30H,8-25H2,1-7H3,(H-,32,33,34,35,36)/p+1