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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC2=C(N=C(O2)C3=CC=CC=C3)C#N)[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CNC2=C(N=C(O2)C3=CC=CC=C3)C#N)[NH+](C)C

InChI

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