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

Systemtic Name: [(1S)-2-(1,3-benzothiazol-2-ylcarbonylamino)-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(1,3-benzothiazole-2-carbonylamino)-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[1,3-benzothiazol-2-yl(oxo)methyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-(1,3-benzothiazole-2-carbonylamino)-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-(1,3-benzothiazole-2-carbonylamino)-1-phenyl-ethyl]-dimethyl-ammonium Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=NC2=CC=CC=C2S1)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=NC2=CC=CC=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3OS/c1-21(2)15(13-8-4-3-5-9-13)12-19-17(22)18-20-14-10-6-7-11-16(14)23-18/h3-11,15H,12H2,1-2H3,(H,19,22)/p+1/t15-/m1/s1