(3R,4R,5S)-4-(3-nitrophenyl)-2,6-bis(oxidanylidene)-5-pyridin-1-ium-1-yl-piperidine-3-carbonitrile

Systemtic Name: (3R,4R,5S)-4-(3-nitrophenyl)-2,6-bis(oxidanylidene)-5-pyridin-1-ium-1-yl-piperidine-3-carbonitrile Openeye Name: (3R,4R,5S)-4-(3-nitrophenyl)-2,6-dioxo-5-pyridin-1-ium-1-yl-piperidine-3-carbonitrile CAS Name: (3R,4R,5S)-4-(3-nitrophenyl)-2,6-dioxo-5-(1-pyridin-1-iumyl)-3-piperidinecarbonitrile IUPAC Name: (3R,4R,5S)-4-(3-nitrophenyl)-2,6-dioxo-5-pyridin-1-ium-1-ylpiperidine-3-carbonitrile Traditional Name: (3R,4R,5S)-2,6-diketo-4-(3-nitrophenyl)-5-pyridin-1-ium-1-yl-nipecotonitrile Formula: C17H13N4O4+ MolecularWeight: 337.30952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2C(C(C(=O)NC2=O)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)[C@H]2[C@H]([C@@H](C(=O)NC2=O)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O4/c18-10-13-14(11-5-4-6-12(9-11)21(24)25)15(17(23)19-16(13)22)20-7-2-1-3-8-20/h1-9,13-15H/p+1/t13-,14-,15-/m0/s1