dimethyl-(2-methyl-4-sulfo-butan-2-yl)-(2-tetradecylphenyl)azanium

Systemtic Name: dimethyl-(2-methyl-4-sulfo-butan-2-yl)-(2-tetradecylphenyl)azanium Openeye Name: (1,1-dimethyl-3-sulfo-propyl)-dimethyl-(2-tetradecylphenyl)ammonium CAS Name: dimethyl-(2-methyl-4-sulfobutan-2-yl)-(2-tetradecylphenyl)ammonium IUPAC Name: dimethyl-(2-methyl-4-sulfobutan-2-yl)-(2-tetradecylphenyl)azanium Traditional Name: (1,1-dimethyl-3-sulfo-propyl)-dimethyl-(2-myristylphenyl)ammonium Formula: C27H50NO3S+ MolecularWeight: 468.7558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC=CC=C1[N+](C)(C)C(C)(C)CCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC=CC=C1[N+](C)(C)C(C)(C)CCS(=O)(=O)O

InChI

InChI=1S/C27H49NO3S/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-25-21-18-19-22-26(25)28(4,5)27(2,3)23-24-32(29,30)31/h18-19,21-22H,6-17,20,23-24H2,1-5H3/p+1