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

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-(benzofuran-2-ylmethylene)-6-hydroxy-4-methyl-benzofuran-3-one CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-2-(2-benzofuranylmethylidene)-6-hydroxy-4-methyl-3-benzofuranone IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-(1-benzofuran-2-ylmethylidene)-6-hydroxy-4-methyl-1-benzofuran-3-one Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-(benzofuran-2-ylmethylene)-6-hydroxy-4-methyl-coumaran-3-one Formula: C25H26NO4+ MolecularWeight: 404.47824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=CC=CC=C4O3)O2)C[NH+]5CCCCCC5)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC4=CC=CC=C4O3)/O2)C[NH+]5CCCCCC5)O

InChI

InChI=1S/C25H25NO4/c1-16-12-20(27)19(15-26-10-6-2-3-7-11-26)25-23(16)24(28)22(30-25)14-18-13-17-8-4-5-9-21(17)29-18/h4-5,8-9,12-14,27H,2-3,6-7,10-11,15H2,1H3/p+1/b22-14-