1,3-benzothiazol-2-ylmethyl-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(3,4-dimethylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(3,4-dimethylanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(3,4-dimethylanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(3,4-dimethylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C19H21N3OS/c1-13-8-9-15(10-14(13)2)20-18(23)11-22(3)12-19-21-16-6-4-5-7-17(16)24-19/h4-10H,11-12H2,1-3H3,(H,20,23)/p+1