[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C22H26ClN4O+ MolecularWeight: 397.92104

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCCC2)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCCC2)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C22H25ClN4O/c1-26(16-22(28)25-20-13-19(23)10-9-17(20)14-24)15-18-7-3-4-8-21(18)27-11-5-2-6-12-27/h3-4,7-10,13H,2,5-6,11-12,15-16H2,1H3,(H,25,28)/p+1