2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]-1-pyrrolidin-1-yl-ethanone chloride

Systemtic Name: 2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]-1-pyrrolidin-1-yl-ethanone chloride Openeye Name: 2-[2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-benzothiazol-3-ium-3-yl]-1-pyrrolidin-1-yl-ethanone chloride CAS Name: 2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]-1-(1-pyrrolidinyl)ethanone chloride IUPAC Name: 2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]-1-pyrrolidin-1-ylethanone chloride Traditional Name: 2-[2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-benzothiazol-3-ium-3-yl]-1-pyrrolidino-ethanone chloride Formula: C23H25ClN2O3S MolecularWeight: 444.9742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=[N+](C3=CC=CC=C3S2)CC(=O)N4CCCC4)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3S2)CC(=O)N4CCCC4)OC.[Cl-]

InChI

InChI=1S/C23H25N2O3S.ClH/c1-27-19-11-9-17(15-20(19)28-2)10-12-23-25(16-22(26)24-13-5-6-14-24)18-7-3-4-8-21(18)29-23;/h3-4,7-12,15H,5-6,13-14,16H2,1-2H3;1H/q+1;/p-1/b12-10+;