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

Systemtic Name: (E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(3-ethoxy-4-methoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(3-ethoxy-4-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-(3-ethoxy-4-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(3-ethoxy-4-methoxy-phenyl)prop-2-en-1-one Formula: C25H31N2O4+ MolecularWeight: 423.52464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-3-30-24-17-19(4-8-23(24)29-2)6-9-25(28)27-13-11-26(12-14-27)18-20-5-7-22-21(16-20)10-15-31-22/h4-9,16-17H,3,10-15,18H2,1-2H3/p+1/b9-6+