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

Systemtic Name: 2-[(S)-(4-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1-methyl-benzimidazole Openeye Name: 2-[(S)-(4-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1-methyl-benzimidazole CAS Name: 2-[(S)-(4-methoxyphenyl)-(1-piperazin-4-iumyl)methyl]-1-methylbenzimidazole IUPAC Name: 2-[(S)-(4-methoxyphenyl)-piperazin-4-ium-1-ylmethyl]-1-methylbenzimidazole Traditional Name: 2-[(S)-(4-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1-methyl-benzimidazole Formula: C20H25N4O+ MolecularWeight: 337.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)OC)N4CC[NH2+]CC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C3=CC=C(C=C3)OC)N4CC[NH2+]CC4

InChI

InChI=1S/C20H24N4O/c1-23-18-6-4-3-5-17(18)22-20(23)19(24-13-11-21-12-14-24)15-7-9-16(25-2)10-8-15/h3-10,19,21H,11-14H2,1-2H3/p+1/t19-/m0/s1