methyl 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate

Systemtic Name: methyl 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate Openeye Name: methyl 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate CAS Name: 2-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-8-imidazo[1,2-a]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate Traditional Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylic acid methyl ester Formula: C20H22N5O4+ MolecularWeight: 396.41978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CN2C1=NC(=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CN2C1=NC(=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4/c1-29-20(26)18-3-2-8-24-14-15(21-19(18)24)13-22-9-11-23(12-10-22)16-4-6-17(7-5-16)25(27)28/h2-8,14H,9-13H2,1H3/p+1