[(1S)-2-[[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]amino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[4-cyano-2-(p-tolyl)oxazol-5-yl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[4-cyano-2-(4-methylphenyl)-5-oxazolyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[4-cyano-2-(p-tolyl)oxazol-5-yl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(O2)NCC(C3=CC=CC=C3)[NH+](C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(O2)NC[C@H](C3=CC=CC=C3)[NH+](C)C)C#N

InChI

InChI=1S/C21H22N4O/c1-15-9-11-17(12-10-15)20-24-18(13-22)21(26-20)23-14-19(25(2)3)16-7-5-4-6-8-16/h4-12,19,23H,14H2,1-3H3/p+1/t19-/m1/s1