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

Systemtic Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)-2-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)-2-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(2-methoxyphenyl)-2-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-en-1-one Traditional Name: (E)-3-(2-methoxyphenyl)-2-phenyl-1-(4-piperonylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C28H29N2O4+ MolecularWeight: 457.54086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C(C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1/C=C(\C2=CC=CC=C2)/C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H28N2O4/c1-32-25-10-6-5-9-23(25)18-24(22-7-3-2-4-8-22)28(31)30-15-13-29(14-16-30)19-21-11-12-26-27(17-21)34-20-33-26/h2-12,17-18H,13-16,19-20H2,1H3/p+1/b24-18+