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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)CCCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)CCCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H25N3O3/c1-23(2)15-17(16-9-4-3-5-10-16)22-20(25)13-8-14-24-18-11-6-7-12-19(18)27-21(24)26/h3-7,9-12,17H,8,13-15H2,1-2H3,(H,22,25)/p+1/t17-/m1/s1