(Z)-1-(4-chlorophenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]prop-2-en-1-one

Systemtic Name: (Z)-1-(4-chlorophenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]prop-2-en-1-one Openeye Name: (Z)-1-(4-chlorophenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]prop-2-en-1-one CAS Name: (Z)-1-(4-chlorophenyl)-3-[4-(dimethylamino)-1-pyridin-1-iumyl]-2-propen-1-one IUPAC Name: (Z)-1-(4-chlorophenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]prop-2-en-1-one Traditional Name: (Z)-1-(4-chlorophenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]prop-2-en-1-one Formula: C16H16ClN2O+ MolecularWeight: 287.76404

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C=CC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)/C=C\C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H16ClN2O/c1-18(2)15-7-10-19(11-8-15)12-9-16(20)13-3-5-14(17)6-4-13/h3-12H,1-2H3/q+1/b12-9-