dodecyl-dimethyl-(phenylmethyl)azanium; hexanedioate

Systemtic Name: dodecyl-dimethyl-(phenylmethyl)azanium; hexanedioate Openeye Name: benzyl-dodecyl-dimethyl-ammonium; hexanedioate CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium; hexanedioate IUPAC Name: benzyl-dodecyl-dimethylazanium; hexanedioate Traditional Name: adipate; benzyl-lauryl-dimethyl-ammonium Formula: C48H84N2O4 MolecularWeight: 753.19156

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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(CCC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/2C21H38N.C6H10O4/c2*1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;7-5(8)3-1-2-4-6(9)10/h2*13-15,17-18H,4-12,16,19-20H2,1-3H3;1-4H2,(H,7,8)(H,9,10)/q2*+1;/p-2