2-(2-azanylidene-6-methyl-3H-1,3-benzothiazol-3-ium-3-yl)-N-(3,4-dimethoxyphenyl)ethanamide chloride

Systemtic Name: 2-(2-azanylidene-6-methyl-3H-1,3-benzothiazol-3-ium-3-yl)-N-(3,4-dimethoxyphenyl)ethanamide chloride Openeye Name: N-(3,4-dimethoxyphenyl)-2-(2-imino-6-methyl-3H-1,3-benzothiazol-3-ium-3-yl)acetamide chloride CAS Name: N-(3,4-dimethoxyphenyl)-2-(2-imino-6-methyl-3H-1,3-benzothiazol-3-ium-3-yl)acetamide chloride IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(2-imino-6-methyl-3H-1,3-benzothiazol-3-ium-3-yl)acetamide chloride Traditional Name: N-(3,4-dimethoxyphenyl)-2-(2-imino-6-methyl-3H-1,3-benzothiazol-3-ium-3-yl)acetamide chloride Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+](C(=N)S2)CC(=O)NC3=CC(=C(C=C3)OC)OC.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+](C(=N)S2)CC(=O)NC3=CC(=C(C=C3)OC)OC.[Cl-]

InChI

InChI=1S/C18H19N3O3S.ClH/c1-11-4-6-13-16(8-11)25-18(19)21(13)10-17(22)20-12-5-7-14(23-2)15(9-12)24-3;/h4-9,19H,10H2,1-3H3,(H,20,22);1H