4,4-dimethyl-3-[(octadecylamino)methyl]-3-sulfo-2-(trimethylazaniumyl)pentanoate

Systemtic Name: 4,4-dimethyl-3-[(octadecylamino)methyl]-3-sulfo-2-(trimethylazaniumyl)pentanoate Openeye Name: 4,4-dimethyl-3-[(octadecylamino)methyl]-3-sulfo-2-(trimethylammonio)pentanoate CAS Name: 4,4-dimethyl-3-[(octadecylamino)methyl]-3-sulfo-2-(trimethylammonio)pentanoate IUPAC Name: 4,4-dimethyl-3-[(octadecylamino)methyl]-3-sulfo-2-(trimethylazaniumyl)pentanoate Traditional Name: 4,4-dimethyl-3-[(stearylamino)methyl]-3-sulfo-2-(trimethylammonio)valerate Formula: C29H60N2O5S MolecularWeight: 548.8621

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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)