1-(2-cyano-4-nitro-phenyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(2-cyano-4-nitro-phenyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(2-cyano-4-nitro-phenyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(2-cyano-4-nitrophenyl)-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-cyano-4-nitrophenyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(2-cyano-4-nitro-phenyl)-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C18H24N5O3+ MolecularWeight: 358.41486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3/c19-13-14-12-15(23(25)26)4-5-16(14)21-10-6-18(7-11-21,17(20)24)22-8-2-1-3-9-22/h4-5,12H,1-3,6-11H2,(H2,20,24)/p+1