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

Systemtic Name: (E)-1-phenyl-3-(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)prop-2-en-1-one chloride Openeye Name: (E)-1-phenyl-3-(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)prop-2-en-1-one chloride CAS Name: (E)-1-phenyl-3-[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]-2-propen-1-one chloride IUPAC Name: (E)-1-phenyl-3-(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)prop-2-en-1-one chloride Traditional Name: (E)-1-phenyl-3-(4-pyrrolidinopyridin-1-ium-1-yl)prop-2-en-1-one chloride Formula: C18H19ClN2O MolecularWeight: 314.80926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=[N+](C=C2)C=CC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CCN(C1)C2=CC=[N+](C=C2)/C=C/C(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H19N2O.ClH/c21-18(16-6-2-1-3-7-16)10-15-19-13-8-17(9-14-19)20-11-4-5-12-20;/h1-3,6-10,13-15H,4-5,11-12H2;1H/q+1;/p-1/b15-10+;