(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-phenethylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-phenethylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-1-(4-phenethylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-1-(4-phenethyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-phenethylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-coumaran-5-yl-1-(4-phenethylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C=CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)/C=C/C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O2/c26-23(9-7-20-6-8-22-21(18-20)11-17-27-22)25-15-13-24(14-16-25)12-10-19-4-2-1-3-5-19/h1-9,18H,10-17H2/p+1/b9-7+