3-propan-2-yl-3-sulfo-2-(trimethylazaniumyl)pentadecanoate

Systemtic Name: 3-propan-2-yl-3-sulfo-2-(trimethylazaniumyl)pentadecanoate Openeye Name: 3-isopropyl-3-sulfo-2-(trimethylammonio)pentadecanoate CAS Name: 3-propan-2-yl-3-sulfo-2-(trimethylammonio)pentadecanoate IUPAC Name: 3-propan-2-yl-3-sulfo-2-(trimethylazaniumyl)pentadecanoate Traditional Name: 3-isopropyl-3-sulfo-2-(trimethylammonio)pentadecanoate Formula: C21H43NO5S MolecularWeight: 421.63482

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)