(E)-3-(5-methylfuran-2-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-methylfuran-2-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(5-methyl-2-furyl)prop-2-en-1-one CAS Name: (E)-3-(5-methyl-2-furanyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(5-methyl-2-furyl)prop-2-en-1-one Formula: C19H23N2O2+ MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O2/c1-16-7-8-18(23-16)9-10-19(22)21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3/p+1/b10-9+