[(2S)-4-[(2,4-dimethylphenyl)amino]-4-oxidanylidene-butan-2-yl]-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]azanium

Systemtic Name: [(2S)-4-[(2,4-dimethylphenyl)amino]-4-oxidanylidene-butan-2-yl]-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]azanium Openeye Name: [(1S)-3-(2,4-dimethylanilino)-1-methyl-3-oxo-propyl]-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]ammonium CAS Name: [(2S)-4-(2,4-dimethylanilino)-4-oxobutan-2-yl]-[(1R)-1-[4-(1-imidazolyl)phenyl]ethyl]ammonium IUPAC Name: [(2S)-4-(2,4-dimethylanilino)-4-oxobutan-2-yl]-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]azanium Traditional Name: [(1S)-3-(2,4-dimethylanilino)-3-keto-1-methyl-propyl]-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]ammonium Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C)[NH2+]C(C)C2=CC=C(C=C2)N3C=CN=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[C@H](C)[NH2+][C@H](C)C2=CC=C(C=C2)N3C=CN=C3)C

InChI

InChI=1S/C23H28N4O/c1-16-5-10-22(17(2)13-16)26-23(28)14-18(3)25-19(4)20-6-8-21(9-7-20)27-12-11-24-15-27/h5-13,15,18-19,25H,14H2,1-4H3,(H,26,28)/p+1/t18-,19+/m0/s1