4-[4-[(E)-2-(4-methylphenyl)ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[4-[(E)-2-(4-methylphenyl)ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonic acid Openeye Name: 4-[4-[(E)-2-(p-tolyl)vinyl]quinolin-1-ium-1-yl]butane-1-sulfonic acid CAS Name: 4-[4-[(E)-2-(4-methylphenyl)ethenyl]-1-quinolin-1-iumyl]-1-butanesulfonic acid IUPAC Name: 4-[4-[(E)-2-(4-methylphenyl)ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonic acid Traditional Name: 4-[4-[(E)-2-(p-tolyl)vinyl]quinolin-1-ium-1-yl]butane-1-sulfonic acid Formula: C22H24NO3S+ MolecularWeight: 382.49586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC2=CC=[N+](C3=CC=CC=C23)CCCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C2=CC=[N+](C3=CC=CC=C23)CCCCS(=O)(=O)O

InChI

InChI=1S/C22H23NO3S/c1-18-8-10-19(11-9-18)12-13-20-14-16-23(15-4-5-17-27(24,25)26)22-7-3-2-6-21(20)22/h2-3,6-14,16H,4-5,15,17H2,1H3/p+1/b13-12+