(2Z)-7-(azepan-1-ium-1-ylmethyl)-4-methyl-6-oxidanyl-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-4-methyl-6-oxidanyl-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-4-methyl-2-(3-pyridylmethylene)benzofuran-3-one CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-6-hydroxy-4-methyl-2-(3-pyridinylmethylidene)-3-benzofuranone IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-4-methyl-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-4-methyl-2-(3-pyridylmethylene)coumaran-3-one Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CN=CC=C3)O2)C[NH+]4CCCCCC4)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CN=CC=C3)/O2)C[NH+]4CCCCCC4)O

InChI

InChI=1S/C22H24N2O3/c1-15-11-18(25)17(14-24-9-4-2-3-5-10-24)22-20(15)21(26)19(27-22)12-16-7-6-8-23-13-16/h6-8,11-13,25H,2-5,9-10,14H2,1H3/p+1/b19-12-