[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium

Systemtic Name: [(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium Openeye Name: [(1S)-2-amino-2-oxo-1-phenyl-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: [(1S)-2-amino-2-oxo-1-phenylethyl]-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: [(1S)-2-amino-2-oxo-1-phenylethyl]-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: [(1S)-2-amino-2-keto-1-phenyl-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)C(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)[C@@H](C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C17H17N3OS/c1-20(16(17(18)21)12-7-3-2-4-8-12)11-15-19-13-9-5-6-10-14(13)22-15/h2-10,16H,11H2,1H3,(H2,18,21)/p+1/t16-/m0/s1