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

Systemtic Name: (2Z)-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(3-pyridylmethylene)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-(3-pyridinylmethylidene)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(3-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=CN=CC=C4)C3=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-14-4-3-9-23(12-14)13-17-18(24)7-6-16-20(25)19(26-21(16)17)10-15-5-2-8-22-11-15/h2,5-8,10-11,14,24H,3-4,9,12-13H2,1H3/p+1/b19-10-/t14-/m0/s1