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

Systemtic Name: (2E)-2-(1H-indol-3-ylmethylidene)-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2E)-6-hydroxy-2-(1H-indol-3-ylmethylene)-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-one CAS Name: (2E)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-7-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-benzofuranone IUPAC Name: (2E)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-one Traditional Name: (2E)-6-hydroxy-2-(1H-indol-3-ylmethylene)-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumaran-3-one Formula: C23H25N3O3+2 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CNC5=CC=CC=C54)C3=O)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C/C4=CNC5=CC=CC=C54)/C3=O)O

InChI

InChI=1S/C23H23N3O3/c1-25-8-10-26(11-9-25)14-18-20(27)7-6-17-22(28)21(29-23(17)18)12-15-13-24-19-5-3-2-4-16(15)19/h2-7,12-13,24,27H,8-11,14H2,1H3/p+2/b21-12+