methyl 4-[[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(2-propyl-3-imidazo[4,5-b]pyridinyl)-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1C3CC[NH+](CC3)CC4=CC=C(C=C4)C(=O)OC)N=CC=C2

Isomeric SMILES

CCCC1=NC2=C(N1C3CC[NH+](CC3)CC4=CC=C(C=C4)C(=O)OC)N=CC=C2

InChI

InChI=1S/C23H28N4O2/c1-3-5-21-25-20-6-4-13-24-22(20)27(21)19-11-14-26(15-12-19)16-17-7-9-18(10-8-17)23(28)29-2/h4,6-10,13,19H,3,5,11-12,14-16H2,1-2H3/p+1