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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]-methyl-ammonium Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)C(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)[C@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C20H21N3OS/c1-23(13-18-22-16-9-5-6-10-17(16)25-18)19(14-7-3-2-4-8-14)20(24)21-15-11-12-15/h2-10,15,19H,11-13H2,1H3,(H,21,24)/p+1/t19-/m1/s1