(2Z)-2-[(4-methoxyphenyl)methylidene]-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-2-[(4-methoxyphenyl)methylene]-7-(piperidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-[(4-methoxyphenyl)methylidene]-7-(1-piperidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-2-[(4-methoxyphenyl)methylidene]-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-2-p-anisylidene-7-(piperidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C22H24NO4+ MolecularWeight: 366.43026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCC4

InChI

InChI=1S/C22H23NO4/c1-26-16-7-5-15(6-8-16)13-20-21(25)17-9-10-19(24)18(22(17)27-20)14-23-11-3-2-4-12-23/h5-10,13,24H,2-4,11-12,14H2,1H3/p+1/b20-13-