2,3-bis(phenylmethyl)benzimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 2,3-bis(phenylmethyl)benzimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 2,3-dibenzylbenzimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 2,3-bis(phenylmethyl)-1-benzimidazol-3-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 2,3-dibenzylbenzimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (2,3-dibenzylbenzimidazol-3-ium-1-yl)amine; 2,4,6-trimethylbesylate Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=C(C=C1)CC2=[N+](C3=CC=CC=C3N2N)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=C(C=C1)CC2=[N+](C3=CC=CC=C3N2N)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N3.C9H12O3S/c22-24-20-14-8-7-13-19(20)23(16-18-11-5-2-6-12-18)21(24)15-17-9-3-1-4-10-17;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h1-14H,15-16,22H2;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1