dimethyl-[(2S)-2-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2S)-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-2-phenylethyl]azanium Traditional Name: [(2S)-2-[3-(2-keto-1,3-benzoxazol-3-yl)propanoylamino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C20H24N3O3+ MolecularWeight: 354.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)CCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)CCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C20H23N3O3/c1-22(2)14-16(15-8-4-3-5-9-15)21-19(24)12-13-23-17-10-6-7-11-18(17)26-20(23)25/h3-11,16H,12-14H2,1-2H3,(H,21,24)/p+1/t16-/m1/s1