dimethyl-[(2R)-2-[[4-(4-methylphenyl)-4-oxidanylidene-butanoyl]amino]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2R)-2-[[4-(4-methylphenyl)-4-oxidanylidene-butanoyl]amino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2R)-2-[[4-oxo-4-(p-tolyl)butanoyl]amino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2R)-2-[[4-(4-methylphenyl)-1,4-dioxobutyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2R)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-2-phenylethyl]azanium Traditional Name: [(2R)-2-[[4-keto-4-(p-tolyl)butanoyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)N[C@@H](C[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2/c1-16-9-11-18(12-10-16)20(24)13-14-21(25)22-19(15-23(2)3)17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3,(H,22,25)/p+1/t19-/m0/s1