dimethyl-[(1R)-2-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-1-thiophen-2-ylethyl]azanium Traditional Name: [(1R)-2-[4-(2-keto-1,3-benzoxazol-3-yl)butanoylamino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCCN1C2=CC=CC=C2OC1=O)C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCCN1C2=CC=CC=C2OC1=O)C3=CC=CS3

InChI

InChI=1S/C19H23N3O3S/c1-21(2)15(17-9-6-12-26-17)13-20-18(23)10-5-11-22-14-7-3-4-8-16(14)25-19(22)24/h3-4,6-9,12,15H,5,10-11,13H2,1-2H3,(H,20,23)/p+1/t15-/m1/s1