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

Systemtic Name: 2-[(S)-(4-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-2-[(S)-(4-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]benzimidazole CAS Name: 2-[(S)-(4-methoxyphenyl)-(1-piperazin-4-iumyl)methyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-2-[(S)-(4-methoxyphenyl)-piperazin-4-ium-1-ylmethyl]benzimidazole Traditional Name: 1-benzyl-2-[(S)-(4-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]benzimidazole Formula: C26H29N4O+ MolecularWeight: 413.53466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)N5CC[NH2+]CC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)N5CC[NH2+]CC5

InChI

InChI=1S/C26H28N4O/c1-31-22-13-11-21(12-14-22)25(29-17-15-27-16-18-29)26-28-23-9-5-6-10-24(23)30(26)19-20-7-3-2-4-8-20/h2-14,25,27H,15-19H2,1H3/p+1/t25-/m0/s1