4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)-N-(2-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)-N-(2-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)-N-(2-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)-N-(2-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)-N-(2-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)-N-(2-nitrophenyl)piperazine-1-carboxamide Formula: C19H21N6O3+ MolecularWeight: 381.40844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C[N+]3=CC=CC=C3N2)C(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=C[N+]3=CC=CC=C3N2)C(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O3/c26-19(21-16-5-1-2-6-17(16)25(27)28)23-11-9-22(10-12-23)13-15-14-24-8-4-3-7-18(24)20-15/h1-8,14H,9-13H2,(H,21,26)/p+1