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

Systemtic Name: (E)-1-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1-piperidyl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-piperidinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]piperidino]-3-phenyl-prop-2-en-1-one Formula: C28H34N3O3+ MolecularWeight: 460.58786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C28H33N3O3/c32-27(9-7-22-4-2-1-3-5-22)30-13-10-24(11-14-30)28(33)31-17-15-29(16-18-31)21-23-6-8-26-25(20-23)12-19-34-26/h1-9,20,24H,10-19,21H2/p+1/b9-7+