(E)-3-(4-methoxyphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-methoxyphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-methoxyphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-methoxyphenyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-methoxyphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-methoxyphenyl)-1-(4-pyridin-1-ium-2-ylpiperazino)prop-2-en-1-one Formula: C19H22N3O2+ MolecularWeight: 324.39688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H21N3O2/c1-24-17-8-5-16(6-9-17)7-10-19(23)22-14-12-21(13-15-22)18-4-2-3-11-20-18/h2-11H,12-15H2,1H3/p+1/b10-7+