2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-yl-prop-1-enyl]pyridine chloride

Systemtic Name: 2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-yl-prop-1-enyl]pyridine chloride Openeye Name: 2-[(E)-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-prop-1-enyl]pyridine chloride CAS Name: 2-[(E)-1-(4-methylphenyl)-3-(1-pyrrolidin-1-iumyl)prop-1-enyl]pyridine chloride IUPAC Name: 2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-ylprop-1-enyl]pyridine chloride Traditional Name: 2-[(E)-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-prop-1-enyl]pyridine chloride Formula: C19H23ClN2 MolecularWeight: 314.85232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CC[NH+]2CCCC2)C3=CC=CC=N3.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\C[NH+]2CCCC2)/C3=CC=CC=N3.[Cl-]

InChI

InChI=1S/C19H22N2.ClH/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21;/h2-3,6-12H,4-5,13-15H2,1H3;1H/b18-11+;