dimethyl-[[4-[[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl]azanium Traditional Name: [4-[[3-(2-keto-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)CCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)CCN2C3=CC=CC=C3OC2=O

InChI

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