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

Systemtic Name: 2-[(S)-(2-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1-methyl-benzimidazole Openeye Name: 2-[(S)-(2-methoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1-methyl-benzimidazole CAS Name: 2-[(S)-(2-methoxyphenyl)-(1-piperazin-4-iumyl)methyl]-1-methylbenzimidazole IUPAC Name: 2-[(S)-(2-methoxyphenyl)-piperazin-4-ium-1-ylmethyl]-1-methylbenzimidazole Traditional Name: 2-[(S)-(2-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=C3OC)N4CC[NH2+]CC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C3=CC=CC=C3OC)N4CC[NH2+]CC4

InChI

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