methyl 4-[[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[2-(2-pyridyl)benzimidazol-1-yl]piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[2-(2-pyridinyl)-1-benzimidazolyl]-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-(2-pyridyl)benzimidazol-1-yl]piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C26H27N4O2+ MolecularWeight: 427.51818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=C3C5=CC=CC=N5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=C3C5=CC=CC=N5

InChI

InChI=1S/C26H26N4O2/c1-32-26(31)20-11-9-19(10-12-20)18-29-16-13-21(14-17-29)30-24-8-3-2-6-22(24)28-25(30)23-7-4-5-15-27-23/h2-12,15,21H,13-14,16-18H2,1H3/p+1