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

Systemtic Name: 3-[4-[(E)-2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[(E)-2-(1H-indol-3-yl)vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[(E)-2-(1H-indol-3-yl)ethenyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[(E)-2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[(E)-2-(1H-indol-3-yl)vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C=CC3=CC=[N+](C=C3)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)/C=C/C3=CC=[N+](C=C3)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C18H18N2O3S/c21-24(22,23)13-3-10-20-11-8-15(9-12-20)6-7-16-14-19-18-5-2-1-4-17(16)18/h1-2,4-9,11-12,14H,3,10,13H2,(H,21,22,23)