6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-yl-prop-1-enyl]pyridine-2-sulfonic acid

Systemtic Name: 6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-yl-prop-1-enyl]pyridine-2-sulfonic acid Openeye Name: 6-[(E)-1-(p-tolyl)-3-pyrrolidin-1-yl-prop-1-enyl]pyridine-2-sulfonic acid CAS Name: 6-[(E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)prop-1-enyl]-2-pyridinesulfonic acid IUPAC Name: 6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine-2-sulfonic acid Traditional Name: 6-[(E)-1-(p-tolyl)-3-pyrrolidino-prop-1-enyl]pyridine-2-sulfonic acid Formula: C19H22N2O3S MolecularWeight: 358.45458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=NC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=NC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C19H22N2O3S/c1-15-7-9-16(10-8-15)17(11-14-21-12-2-3-13-21)18-5-4-6-19(20-18)25(22,23)24/h4-11H,2-3,12-14H2,1H3,(H,22,23,24)/b17-11+