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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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