(2E)-6-oxidanyl-7-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one

Systemtic Name: (2E)-6-oxidanyl-7-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one Openeye Name: (2E)-7-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-hydroxy-2-(4-pyridylmethylene)benzofuran-3-one CAS Name: (2E)-6-hydroxy-7-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-(pyridin-4-ylmethylidene)-3-benzofuranone IUPAC Name: (2E)-7-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-hydroxy-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one Traditional Name: (2E)-7-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-hydroxy-2-(4-pyridylmethylene)coumaran-3-one Formula: C27H27N2O3+ MolecularWeight: 427.51488

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(C=CC4=C3OC(=CC5=CC=NC=C5)C4=O)O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(C=CC4=C3O/C(=C/C5=CC=NC=C5)/C4=O)O

InChI

InChI=1S/C27H26N2O3/c30-24-7-6-22-26(31)25(17-20-8-12-28-13-9-20)32-27(22)23(24)18-29-14-10-21(11-15-29)16-19-4-2-1-3-5-19/h1-9,12-13,17,21,30H,10-11,14-16,18H2/p+1/b25-17+