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

Systemtic Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-[(E)-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=CC=[N+]2CCCS(=O)(=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C2=CC=CC=[N+]2CCCS(=O)(=O)[O-]

InChI

InChI=1S/C18H22N2O3S/c1-19(2)17-10-7-16(8-11-17)9-12-18-6-3-4-13-20(18)14-5-15-24(21,22)23/h3-4,6-13H,5,14-15H2,1-2H3