dodecyl-dimethyl-(phenylmethyl)azanium; dodecyl hydrogen sulfate

Systemtic Name: dodecyl-dimethyl-(phenylmethyl)azanium; dodecyl hydrogen sulfate Openeye Name: benzyl-dodecyl-dimethyl-ammonium; dodecyl hydrogen sulfate CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium; sulfuric acid dodecyl ester IUPAC Name: benzyl-dodecyl-dimethylazanium; dodecyl hydrogen sulfate Traditional Name: benzyl-lauryl-dimethyl-ammonium; sulfuric acid lauryl ester Formula: C33H64NO4S+ MolecularWeight: 570.93056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CCCCCCCCCCCCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CCCCCCCCCCCCOS(=O)(=O)O

InChI

InChI=1S/C21H38N.C12H26O4S/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h13-15,17-18H,4-12,16,19-20H2,1-3H3;2-12H2,1H3,(H,13,14,15)/q+1;