(2Z)-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one

Systemtic Name: (2Z)-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(2-thienylmethylene)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-(thiophen-2-ylmethylidene)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(2-thenylidene)coumaran-3-one Formula: C19H22N2O3S+2 MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CS4)/C3=O)O

InChI

InChI=1S/C19H20N2O3S/c1-20-6-8-21(9-7-20)12-15-16(22)5-4-14-18(23)17(24-19(14)15)11-13-3-2-10-25-13/h2-5,10-11,22H,6-9,12H2,1H3/p+2/b17-11-