2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Formula: C26H33N3O2+2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H31N3O2/c30-26(29-11-8-23(9-12-29)22-4-2-1-3-5-22)20-28-15-13-27(14-16-28)19-21-6-7-25-24(18-21)10-17-31-25/h1-8,18H,9-17,19-20H2/p+2