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

Systemtic Name: 1-(4-azanyl-2-cyano-phenyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(4-amino-2-cyano-phenyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(4-amino-2-cyanophenyl)-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-amino-2-cyanophenyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(4-amino-2-cyano-phenyl)-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O/c19-13-14-12-15(20)4-5-16(14)22-10-6-18(7-11-22,17(21)24)23-8-2-1-3-9-23/h4-5,12H,1-3,6-11,20H2,(H2,21,24)/p+1