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

Systemtic Name: (2Z)-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-6-oxidanyl-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-2-(4-pyridylmethylene)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-methyl-2-(pyridin-4-ylmethylidene)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-2-(4-pyridylmethylene)coumaran-3-one Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=NC=C3)O2)C[NH+]4CCN(CC4)CCO)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=NC=C3)/O2)C[NH+]4CCN(CC4)CCO)O

InChI

InChI=1S/C22H25N3O4/c1-15-12-18(27)17(14-25-8-6-24(7-9-25)10-11-26)22-20(15)21(28)19(29-22)13-16-2-4-23-5-3-16/h2-5,12-13,26-27H,6-11,14H2,1H3/p+1/b19-13-