1-methyl-2-[(S)-(3-methylphenyl)-piperazin-4-ium-1-yl-methyl]benzimidazole

Systemtic Name: 1-methyl-2-[(S)-(3-methylphenyl)-piperazin-4-ium-1-yl-methyl]benzimidazole Openeye Name: 1-methyl-2-[(S)-m-tolyl(piperazin-4-ium-1-yl)methyl]benzimidazole CAS Name: 1-methyl-2-[(S)-(3-methylphenyl)-(1-piperazin-4-iumyl)methyl]benzimidazole IUPAC Name: 1-methyl-2-[(S)-(3-methylphenyl)-piperazin-4-ium-1-ylmethyl]benzimidazole Traditional Name: 1-methyl-2-[(S)-m-tolyl(piperazin-4-ium-1-yl)methyl]benzimidazole Formula: C20H25N4+ MolecularWeight: 321.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=NC3=CC=CC=C3N2C)N4CC[NH2+]CC4

Isomeric SMILES

CC1=CC(=CC=C1)[C@@H](C2=NC3=CC=CC=C3N2C)N4CC[NH2+]CC4

InChI

InChI=1S/C20H24N4/c1-15-6-5-7-16(14-15)19(24-12-10-21-11-13-24)20-22-17-8-3-4-9-18(17)23(20)2/h3-9,14,19,21H,10-13H2,1-2H3/p+1/t19-/m0/s1