1-[[7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[[7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[[7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[7-methyl-2-(3-nitrophenyl)-3-imidazo[1,2-a]pyridinyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)C[NH+]3CCC(CC3)C(=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)C[NH+]3CCC(CC3)C(=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-14-5-10-24-18(13-23-8-6-15(7-9-23)21(26)27)20(22-19(24)11-14)16-3-2-4-17(12-16)25(28)29/h2-5,10-12,15H,6-9,13H2,1H3,(H,26,27)