(E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-allyloxyphenyl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-(4-prop-2-enoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-allyloxyphenyl)-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C25H28N2O3/c1-2-16-29-23-7-3-20(4-8-23)6-10-25(28)27-14-12-26(13-15-27)19-21-5-9-24-22(18-21)11-17-30-24/h2-10,18H,1,11-17,19H2/p+1/b10-6+