[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]-[(1R)-1-(1-naphthyl)ethyl]ammonium CAS Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl]-[(1R)-1-(1-naphthalenyl)ethyl]ammonium IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium Traditional Name: [2-keto-2-(2-methyl-5-nitro-anilino)ethyl]-[(1R)-1-(1-naphthyl)ethyl]ammonium Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH2+]C(C)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH2+][C@H](C)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O3/c1-14-10-11-17(24(26)27)12-20(14)23-21(25)13-22-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,15,22H,13H2,1-2H3,(H,23,25)/p+1/t15-/m1/s1