[(2S)-4-methyl-1-[(4-methylphenyl)amino]-1-oxidanylidene-pentan-2-yl]-(3-oxidanylidene-3-phenyl-propyl)azanium

Systemtic Name: [(2S)-4-methyl-1-[(4-methylphenyl)amino]-1-oxidanylidene-pentan-2-yl]-(3-oxidanylidene-3-phenyl-propyl)azanium Openeye Name: [(1S)-3-methyl-1-(p-tolylcarbamoyl)butyl]-(3-oxo-3-phenyl-propyl)ammonium CAS Name: [(2S)-4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]-(3-oxo-3-phenylpropyl)ammonium IUPAC Name: [(2S)-4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]-(3-oxo-3-phenylpropyl)azanium Traditional Name: (3-keto-3-phenyl-propyl)-[(1S)-3-methyl-1-(p-tolylcarbamoyl)butyl]ammonium Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-16(2)15-20(22(26)24-19-11-9-17(3)10-12-19)23-14-13-21(25)18-7-5-4-6-8-18/h4-12,16,20,23H,13-15H2,1-3H3,(H,24,26)/p+1/t20-/m0/s1