(E)-3-(5-methylfuran-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-methylfuran-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-methyl-2-furyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(5-methyl-2-furanyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-methylfuran-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-methyl-2-furyl)-1-(4-pyridin-1-ium-2-ylpiperazino)prop-2-en-1-one Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H19N3O2/c1-14-5-6-15(22-14)7-8-17(21)20-12-10-19(11-13-20)16-4-2-3-9-18-16/h2-9H,10-13H2,1H3/p+1/b8-7+