[(1S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3OS/c1-23(2)17(15-8-4-3-5-9-15)14-21-19(24)12-13-20-22-16-10-6-7-11-18(16)25-20/h3-11,17H,12-14H2,1-2H3,(H,21,24)/p+1/t17-/m1/s1