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

Systemtic Name: 2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-yl-prop-1-enyl]pyridine chloride hydrate Openeye Name: 2-[(E)-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-prop-1-enyl]pyridine chloride hydrate CAS Name: 2-[(E)-1-(4-methylphenyl)-3-(1-pyrrolidin-1-iumyl)prop-1-enyl]pyridine chloride hydrate IUPAC Name: 2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-ylprop-1-enyl]pyridine chloride hydrate Traditional Name: 2-[(E)-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-prop-1-enyl]pyridine chloride hydrate Formula: C19H25ClN2O MolecularWeight: 332.8676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2.ClH.H2O/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;1H2/b18-11+;;