butyl-dimethyl-(2-oxidanyldodecyl)azanium benzoate

Systemtic Name: butyl-dimethyl-(2-oxidanyldodecyl)azanium benzoate Openeye Name: butyl-(2-hydroxydodecyl)-dimethyl-ammonium benzoate CAS Name: butyl-(2-hydroxydodecyl)-dimethylammonium benzoate IUPAC Name: butyl-(2-hydroxydodecyl)-dimethylazanium benzoate Traditional Name: butyl-(2-hydroxydodecyl)-dimethyl-ammonium benzoate Formula: C25H45NO3 MolecularWeight: 407.6297

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C[N+](C)(C)CCCC)O.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC(C[N+](C)(C)CCCC)O.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C18H40NO.C7H6O2/c1-5-7-9-10-11-12-13-14-15-18(20)17-19(3,4)16-8-6-2;8-7(9)6-4-2-1-3-5-6/h18,20H,5-17H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1