dodecyl-dimethyl-(phenylmethyl)azanium; 2-oxidanylbutanedioate

Systemtic Name: dodecyl-dimethyl-(phenylmethyl)azanium; 2-oxidanylbutanedioate Openeye Name: benzyl-dodecyl-dimethyl-ammonium; 2-hydroxybutanedioate CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium; 2-hydroxybutanedioate IUPAC Name: benzyl-dodecyl-dimethylazanium; 2-hydroxybutanedioate Traditional Name: benzyl-lauryl-dimethyl-ammonium; 2-hydroxysuccinate Formula: C46H80N2O5 MolecularWeight: 741.1378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H38N.C4H6O5/c2*1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;5-2(4(8)9)1-3(6)7/h2*13-15,17-18H,4-12,16,19-20H2,1-3H3;2,5H,1H2,(H,6,7)(H,8,9)/q2*+1;/p-2