[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH2+]C(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH2+][C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O3/c1-12-9-16(17(21(23)24)10-13(12)2)20-18(22)11-19-14(3)15-7-5-4-6-8-15/h4-10,14,19H,11H2,1-3H3,(H,20,22)/p+1/t14-/m1/s1