(E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(furan-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(furan-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-furyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(2-furanyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(furan-2-yl)prop-2-en-1-one Traditional Name: (E)-3-(2-furyl)-1-(4-piperonylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C19H21N2O4+ MolecularWeight: 341.38104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CC=CO4

InChI

InChI=1S/C19H20N2O4/c22-19(6-4-16-2-1-11-23-16)21-9-7-20(8-10-21)13-15-3-5-17-18(12-15)25-14-24-17/h1-6,11-12H,7-10,13-14H2/p+1/b6-4+