4-[4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[4-[(E)-2-(p-tolyl)vinyl]pyridin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[4-[(E)-2-(4-methylphenyl)ethenyl]-1-pyridin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[4-[(E)-2-(p-tolyl)vinyl]pyridin-1-ium-1-yl]butane-1-sulfonate Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C18H21NO3S/c1-16-4-6-17(7-5-16)8-9-18-10-13-19(14-11-18)12-2-3-15-23(20,21)22/h4-11,13-14H,2-3,12,15H2,1H3/b9-8+