[2-[[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium

Systemtic Name: [2-[[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium Openeye Name: [2-[[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-ammonium CAS Name: [2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylammonium IUPAC Name: [2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium Traditional Name: [2-[[2-(5-chloro-2-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=C(C=CC(=C2)Cl)C#N)C3CCCCC3

Isomeric SMILES

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

InChI

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