methyl 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3O2/c1-26-21(25)17-8-6-15(7-9-17)14-24-12-10-16(11-13-24)20-22-18-4-2-3-5-19(18)23-20/h2-9,16H,10-14H2,1H3,(H,22,23)/p+1