cyclohexyl-[[2-[[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl]-methyl-azanium

Systemtic Name: cyclohexyl-[[2-[[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[2-[[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]amino]phenyl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[2-[[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]amino]phenyl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[2-[[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium Traditional Name: cyclohexyl-[2-[[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]amino]benzyl]-methyl-ammonium Formula: C23H31N4O4+ MolecularWeight: 427.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4/c1-26(18-9-4-3-5-10-18)16-17-8-6-7-11-20(17)24-15-23(28)25-21-13-12-19(27(29)30)14-22(21)31-2/h6-8,11-14,18,24H,3-5,9-10,15-16H2,1-2H3,(H,25,28)/p+1