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

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

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=NC=C4)/C3=O)O

InChI

InChI=1S/C21H22N2O3/c1-14-3-2-10-23(12-14)13-17-18(24)5-4-16-20(25)19(26-21(16)17)11-15-6-8-22-9-7-15/h4-9,11,14,24H,2-3,10,12-13H2,1H3/p+1/b19-11-/t14-/m0/s1