2-[4-[(4-nitro-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-[(4-nitro-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(4-nitro-1H-pyrrole-2-carbonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(4-nitro-1H-pyrrole-2-carbonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-(4-nitro-1H-pyrrole-2-carbonyl)piperazino]pyridin-1-ium-3-carbonitrile Formula: C15H15N6O3+ MolecularWeight: 327.318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)C(=O)C3=CC(=CN3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)C(=O)C3=CC(=CN3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N6O3/c16-9-11-2-1-3-17-14(11)19-4-6-20(7-5-19)15(22)13-8-12(10-18-13)21(23)24/h1-3,8,10,18H,4-7H2/p+1