4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazino]-3-nitro-benzamide Formula: C19H21N6O3+ MolecularWeight: 381.40844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O3/c20-19(26)14-4-5-16(17(11-14)25(27)28)23-9-7-22(8-10-23)12-15-13-24-6-2-1-3-18(24)21-15/h1-6,11,13H,7-10,12H2,(H2,20,26)/p+1