(4,4-dimethyl-3-oxidanylidene-pentyl)-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: (4,4-dimethyl-3-oxidanylidene-pentyl)-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(4-methylanilino)-2-oxo-ethyl]-(4,4-dimethyl-3-oxo-pentyl)ammonium CAS Name: (4,4-dimethyl-3-oxopentyl)-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: (4,4-dimethyl-3-oxopentyl)-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-(p-toluidino)ethyl]-(3-keto-4,4-dimethyl-pentyl)ammonium Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)[NH2+]CCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)[NH2+]CCC(=O)C(C)(C)C

InChI

InChI=1S/C23H30N2O2/c1-17-10-12-19(13-11-17)25-22(27)20(16-18-8-6-5-7-9-18)24-15-14-21(26)23(2,3)4/h5-13,20,24H,14-16H2,1-4H3,(H,25,27)/p+1/t20-/m0/s1