2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]pyridin-3-yl]-1H-benzimidazole

Systemtic Name: 2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]pyridin-3-yl]-1H-benzimidazole Openeye Name: 2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-pyridyl]-1H-benzimidazole CAS Name: 2-[6-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinyl]-1H-benzimidazole IUPAC Name: 2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]pyridin-3-yl]-1H-benzimidazole Traditional Name: 2-[6-(4-p-anisylpiperazin-4-ium-1-yl)-3-pyridyl]-1H-benzimidazole Formula: C24H26N5O+ MolecularWeight: 400.49614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H25N5O/c1-30-20-9-6-18(7-10-20)17-28-12-14-29(15-13-28)23-11-8-19(16-25-23)24-26-21-4-2-3-5-22(21)27-24/h2-11,16H,12-15,17H2,1H3,(H,26,27)/p+1