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

Systemtic Name: 2-[(S)-(3-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1-methyl-benzimidazole Openeye Name: 2-[(S)-(3-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1-methyl-benzimidazole CAS Name: 2-[(S)-(3-methoxyphenyl)-(1-piperazin-4-iumyl)methyl]-1-methylbenzimidazole IUPAC Name: 2-[(S)-(3-methoxyphenyl)-piperazin-4-ium-1-ylmethyl]-1-methylbenzimidazole Traditional Name: 2-[(S)-(3-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1-methyl-benzimidazole Formula: C20H25N4O+ MolecularWeight: 337.4387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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