[(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-[(2S)-pentan-2-yl]azanium

Systemtic Name: [(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-[(2S)-pentan-2-yl]azanium Openeye Name: [(1S)-1-methylbutyl]-[(1R)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: [(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]-[(2S)-pentan-2-yl]ammonium IUPAC Name: [(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]-[(2S)-pentan-2-yl]azanium Traditional Name: [(1R)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl]-[(1S)-1-methylbutyl]ammonium Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]C(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC[C@H](C)[NH2+][C@H](C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O3/c1-4-8-15(3)21-19(16-9-6-5-7-10-16)20(24)22-17-12-11-14(2)13-18(17)23(25)26/h5-7,9-13,15,19,21H,4,8H2,1-3H3,(H,22,24)/p+1/t15-,19+/m0/s1