(3S)-1-(5-nitropyridin-1-ium-2-yl)-N-pyridin-3-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-pyridin-3-yl-piperidine-3-carboxamide Openeye Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-(3-pyridyl)piperidine-3-carboxamide CAS Name: (3S)-1-(5-nitro-2-pyridin-1-iumyl)-N-(3-pyridinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide Traditional Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-(3-pyridyl)nipecotamide Formula: C16H18N5O3+ MolecularWeight: 328.34582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CN=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CN=CC=C3

InChI

InChI=1S/C16H17N5O3/c22-16(19-13-4-1-7-17-9-13)12-3-2-8-20(11-12)15-6-5-14(10-18-15)21(23)24/h1,4-7,9-10,12H,2-3,8,11H2,(H,19,22)/p+1/t12-/m0/s1