(2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one

Systemtic Name: (2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(4-pyridylmethylene)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-(pyridin-4-ylmethylidene)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(4-pyridylmethylene)coumaran-3-one Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=NC=C4)/C3=O)O

InChI

InChI=1S/C21H22N2O3/c1-14-6-10-23(11-7-14)13-17-18(24)3-2-16-20(25)19(26-21(16)17)12-15-4-8-22-9-5-15/h2-5,8-9,12,14,24H,6-7,10-11,13H2,1H3/p+1/b19-12-