1-(5-nitropyridin-1-ium-2-yl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(5-nitropyridin-1-ium-2-yl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(5-nitropyridin-1-ium-2-yl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(5-nitro-2-pyridin-1-iumyl)-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-nitropyridin-1-ium-2-yl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(5-nitropyridin-1-ium-2-yl)-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C16H25N5O3+2 MolecularWeight: 335.4014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C16H23N5O3/c17-15(22)16(20-8-2-1-3-9-20)6-10-19(11-7-16)14-5-4-13(12-18-14)21(23)24/h4-5,12H,1-3,6-11H2,(H2,17,22)/p+2