(2,4-dimethylphenyl)methyl-[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl]-[(2,4-dimethylphenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[(2,4-dimethylphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[(2,4-dimethylphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl]-(2,4-dimethylbenzyl)-methyl-ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)C(C)C(=O)NC2=CC=CC(=C2)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)[C@H](C)C(=O)NC2=CC=CC(=C2)C(=O)C)C

InChI

InChI=1S/C21H26N2O2/c1-14-9-10-19(15(2)11-14)13-23(5)16(3)21(25)22-20-8-6-7-18(12-20)17(4)24/h6-12,16H,13H2,1-5H3,(H,22,25)/p+1/t16-/m1/s1