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

Systemtic Name: 2-methyl-3-(phenylmethyl)benzimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 3-benzyl-2-methyl-benzimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 2-methyl-3-(phenylmethyl)-1-benzimidazol-3-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 3-benzyl-2-methylbenzimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (3-benzyl-2-methyl-benzimidazol-3-ium-1-yl)amine; 2,4,6-trimethylbesylate Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=[N+](C2=CC=CC=C2N1N)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=[N+](C2=CC=CC=C2N1N)CC3=CC=CC=C3

InChI

InChI=1S/C15H16N3.C9H12O3S/c1-12-17(11-13-7-3-2-4-8-13)14-9-5-6-10-15(14)18(12)16;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h2-10H,11,16H2,1H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1