3-[4-[2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-[2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[2-(4-dimethylaminophenyl)ethenyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CCCS(=O)(=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C18H22N2O3S/c1-19(2)18-8-6-16(7-9-18)4-5-17-10-13-20(14-11-17)12-3-15-24(21,22)23/h4-11,13-14H,3,12,15H2,1-2H3