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

Systemtic Name: (E)-3-(2-methylphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(o-tolyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(2-methylphenyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-methylphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(o-tolyl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C19H22N3O+ MolecularWeight: 308.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C19H21N3O/c1-16-4-2-3-5-17(16)6-7-19(23)22-14-12-21(13-15-22)18-8-10-20-11-9-18/h2-11H,12-15H2,1H3/p+1/b7-6+