2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazino]-5-nitro-benzonitrile Formula: C19H19N6O2+ MolecularWeight: 363.39316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O2/c20-12-15-11-17(25(26)27)4-5-18(15)23-9-7-22(8-10-23)13-16-14-24-6-2-1-3-19(24)21-16/h1-6,11,14H,7-10,13H2/p+1