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

Systemtic Name: [2-[[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium Openeye Name: [2-[[2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-ammonium CAS Name: [2-[[2-(2-chloro-5-nitroanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylammonium IUPAC Name: [2-[[2-(2-chloro-5-nitroanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium Traditional Name: [2-[[2-(2-chloro-5-nitro-anilino)-2-keto-ethyl]amino]benzyl]-cyclohexyl-methyl-ammonium Formula: C22H28ClN4O3+ MolecularWeight: 431.93572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O3/c1-26(17-8-3-2-4-9-17)15-16-7-5-6-10-20(16)24-14-22(28)25-21-13-18(27(29)30)11-12-19(21)23/h5-7,10-13,17,24H,2-4,8-9,14-15H2,1H3,(H,25,28)/p+1