N-(2-chloranyl-4-methyl-phenyl)-1-(5-cyanopyridin-1-ium-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-1-(5-cyanopyridin-1-ium-2-yl)piperidine-4-carboxamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-1-(5-cyanopyridin-1-ium-2-yl)piperidine-4-carboxamide CAS Name: N-(2-chloro-4-methylphenyl)-1-(5-cyano-2-pyridin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-4-methylphenyl)-1-(5-cyanopyridin-1-ium-2-yl)piperidine-4-carboxamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-1-(5-cyanopyridin-1-ium-2-yl)isonipecotamide Formula: C19H20ClN4O+ MolecularWeight: 355.8413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C#N)Cl

InChI

InChI=1S/C19H19ClN4O/c1-13-2-4-17(16(20)10-13)23-19(25)15-6-8-24(9-7-15)18-5-3-14(11-21)12-22-18/h2-5,10,12,15H,6-9H2,1H3,(H,23,25)/p+1