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

Systemtic Name: [(1S)-2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCCC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCCC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-24(2)18(16-9-4-3-5-10-16)15-22-20(25)13-8-14-21-23-17-11-6-7-12-19(17)26-21/h3-7,9-12,18H,8,13-15H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1