1,3-benzothiazol-2-ylmethyl-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: [2-(3-acetylanilino)-2-oxoethyl]-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl]-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: [2-(3-acetylanilino)-2-keto-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H19N3O2S/c1-13(23)14-6-5-7-15(10-14)20-18(24)11-22(2)12-19-21-16-8-3-4-9-17(16)25-19/h3-10H,11-12H2,1-2H3,(H,20,24)/p+1