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

Systemtic Name: dimethyl-[[2-[[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]methyl]phenyl]methyl]azanium Traditional Name: [2-[[4-(2-keto-1,3-benzoxazol-3-yl)butanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H25N3O3/c1-23(2)15-17-9-4-3-8-16(17)14-22-20(25)12-7-13-24-18-10-5-6-11-19(18)27-21(24)26/h3-6,8-11H,7,12-15H2,1-2H3,(H,22,25)/p+1