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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]-methyl-ammonium Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H21N3O3S/c1-22(12-19-21-14-6-4-5-7-17(14)26-19)11-18(23)20-13-8-9-15(24-2)16(10-13)25-3/h4-10H,11-12H2,1-3H3,(H,20,23)/p+1