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

Systemtic Name: 2-[(S)-(3-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-2-[(S)-(3-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]benzimidazole CAS Name: 2-[(S)-(3-methoxyphenyl)-(1-piperazin-4-iumyl)methyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-2-[(S)-(3-methoxyphenyl)-piperazin-4-ium-1-ylmethyl]benzimidazole Traditional Name: 1-benzyl-2-[(S)-(3-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]benzimidazole Formula: C26H29N4O+ MolecularWeight: 413.53466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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