[2-[[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium

Systemtic Name: [2-[[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium Openeye Name: [2-[[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-ammonium CAS Name: [2-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylammonium IUPAC Name: [2-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium Traditional Name: [2-[[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]amino]benzyl]-cyclohexyl-methyl-ammonium Formula: C23H28ClN4O+ MolecularWeight: 411.94762

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NCC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NCC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3CCCCC3

InChI

InChI=1S/C23H27ClN4O/c1-28(20-8-3-2-4-9-20)16-18-7-5-6-10-22(18)26-15-23(29)27-19-12-11-17(14-25)21(24)13-19/h5-7,10-13,20,26H,2-4,8-9,15-16H2,1H3,(H,27,29)/p+1