1-[[6-chloranyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[[6-chloranyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[[6-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[6-chloro-2-(4-nitrophenyl)-3-imidazo[1,2-a]pyridinyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[6-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[6-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Formula: C20H19ClN4O4 MolecularWeight: 414.84226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O4/c21-15-3-6-18-22-19(13-1-4-16(5-2-13)25(28)29)17(24(18)11-15)12-23-9-7-14(8-10-23)20(26)27/h1-6,11,14H,7-10,12H2,(H,26,27)