cyclohexyl-methyl-[[2-[[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[2-[[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[2-[[2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl]amino]phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-[[2-(2-methyl-3-nitroanilino)-2-oxoethyl]amino]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-[[2-(2-methyl-3-nitroanilino)-2-oxoethyl]amino]phenyl]methyl]azanium Traditional Name: cyclohexyl-[2-[[2-keto-2-(2-methyl-3-nitro-anilino)ethyl]amino]benzyl]-methyl-ammonium Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CNC2=CC=CC=C2C[NH+](C)C3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CNC2=CC=CC=C2C[NH+](C)C3CCCCC3

InChI

InChI=1S/C23H30N4O3/c1-17-20(13-8-14-22(17)27(29)30)25-23(28)15-24-21-12-7-6-9-18(21)16-26(2)19-10-4-3-5-11-19/h6-9,12-14,19,24H,3-5,10-11,15-16H2,1-2H3,(H,25,28)/p+1