2-[[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azaniumyl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azaniumyl]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[(1S)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl]ammonio]ethyl]ammonium CAS Name: 2-[[(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]ammonio]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]azaniumyl]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[[(1S)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl]ammonio]ethyl]ammonium Formula: C23H34N4O3+2 MolecularWeight: 414.54106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CC[NH+](C(C)C)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC[NH+](C(C)C)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O3/c1-16(2)26(17(3)4)14-13-24-22(19-9-7-6-8-10-19)23(28)25-20-12-11-18(5)15-21(20)27(29)30/h6-12,15-17,22,24H,13-14H2,1-5H3,(H,25,28)/p+2/t22-/m0/s1