(2,4-dimethylphenyl)methyl-[(2S)-1-[(4-methoxycarbonylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-[(2S)-1-[(4-methoxycarbonylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (2,4-dimethylphenyl)methyl-[(1S)-2-[(4-methoxycarbonylphenyl)methylamino]-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (2,4-dimethylphenyl)methyl-[(2S)-1-[(4-methoxycarbonylphenyl)methylamino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: (2,4-dimethylphenyl)methyl-[(2S)-1-[(4-methoxycarbonylphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1S)-2-[(4-carbomethoxybenzyl)amino]-2-keto-1-methyl-ethyl]-(2,4-dimethylbenzyl)-methyl-ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)C(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)[C@@H](C)C(=O)NCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C22H28N2O3/c1-15-6-9-20(16(2)12-15)14-24(4)17(3)21(25)23-13-18-7-10-19(11-8-18)22(26)27-5/h6-12,17H,13-14H2,1-5H3,(H,23,25)/p+1/t17-/m0/s1