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

Systemtic Name: (E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-methyl-2-furyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(5-methyl-2-furanyl)-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-methyl-2-furyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H18N2O2/c1-11-3-4-12(17-11)5-6-13(16)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3/p+1/b6-5+