1-(3-nitropyridin-1-ium-2-yl)-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-(3-nitropyridin-1-ium-2-yl)-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-(3-nitropyridin-1-ium-2-yl)-N-phenyl-piperidine-4-carboxamide CAS Name: 1-(3-nitro-2-pyridin-1-iumyl)-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-(3-nitropyridin-1-ium-2-yl)-N-phenylpiperidine-4-carboxamide Traditional Name: 1-(3-nitropyridin-1-ium-2-yl)-N-phenyl-isonipecotamide Formula: C17H19N4O3+ MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3/c22-17(19-14-5-2-1-3-6-14)13-8-11-20(12-9-13)16-15(21(23)24)7-4-10-18-16/h1-7,10,13H,8-9,11-12H2,(H,19,22)/p+1