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

Systemtic Name: cyclohexyl-methyl-[[2-[[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[2-[[2-(3-nitroanilino)-2-oxo-ethyl]amino]phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-[[2-(3-nitroanilino)-2-oxoethyl]amino]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-[[2-(3-nitroanilino)-2-oxoethyl]amino]phenyl]methyl]azanium Traditional Name: cyclohexyl-[2-[[2-keto-2-(3-nitroanilino)ethyl]amino]benzyl]-methyl-ammonium Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-25(19-10-3-2-4-11-19)16-17-8-5-6-13-21(17)23-15-22(27)24-18-9-7-12-20(14-18)26(28)29/h5-9,12-14,19,23H,2-4,10-11,15-16H2,1H3,(H,24,27)/p+1