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

Systemtic Name: (E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-[4-(1-imidazolyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Formula: C25H27N4O2+ MolecularWeight: 415.50748

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C=CC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)/C=C/C4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C25H26N4O2/c30-25(8-4-20-1-5-23(6-2-20)29-11-10-26-19-29)28-14-12-27(13-15-28)18-21-3-7-24-22(17-21)9-16-31-24/h1-8,10-11,17,19H,9,12-16,18H2/p+1/b8-4+