[(2S)-2-[2-[(3,4-dimethylphenyl)carbonylamino]ethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[2-[(3,4-dimethylphenyl)carbonylamino]ethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[2-[[(3,4-dimethylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-15-10-11-18(12-16(15)2)21(26)22-13-20(25)23-19(14-24(3)4)17-8-6-5-7-9-17/h5-12,19H,13-14H2,1-4H3,(H,22,26)(H,23,25)/p+1/t19-/m1/s1