(E)-1-(4-methylphenyl)-3-(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)prop-2-en-1-one chloride

Systemtic Name: (E)-1-(4-methylphenyl)-3-(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)prop-2-en-1-one chloride Openeye Name: (E)-1-(p-tolyl)-3-(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)prop-2-en-1-one chloride CAS Name: (E)-1-(4-methylphenyl)-3-[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]-2-propen-1-one chloride IUPAC Name: (E)-1-(4-methylphenyl)-3-(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)prop-2-en-1-one chloride Traditional Name: (E)-1-(p-tolyl)-3-(4-pyrrolidinopyridin-1-ium-1-yl)prop-2-en-1-one chloride Formula: C19H21ClN2O MolecularWeight: 328.83584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=C[N+]2=CC=C(C=C2)N3CCCC3.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/[N+]2=CC=C(C=C2)N3CCCC3.[Cl-]

InChI

InChI=1S/C19H21N2O.ClH/c1-16-4-6-17(7-5-16)19(22)10-15-20-13-8-18(9-14-20)21-11-2-3-12-21;/h4-10,13-15H,2-3,11-12H2,1H3;1H/q+1;/p-1/b15-10+;