3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid Formula: C18H22NO5S+ MolecularWeight: 364.43598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=CC=[N+](C=C2)CCCS(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCCS(=O)(=O)O)OC

InChI

InChI=1S/C18H21NO5S/c1-23-17-7-6-16(14-18(17)24-2)5-4-15-8-11-19(12-9-15)10-3-13-25(20,21)22/h4-9,11-12,14H,3,10,13H2,1-2H3/p+1/b5-4+