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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-23(2)18(16-9-4-3-5-10-16)15-22-20(25)13-8-14-24-17-11-6-7-12-19(17)27-21(24)26/h3-7,9-12,18H,8,13-15H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1