[(1S)-2-[2-[(3,5-dimethylphenyl)carbonylamino]ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[2-[(3,5-dimethylphenyl)carbonylamino]ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-[[(3,5-dimethylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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