(2Z)-2-(1H-indol-3-ylmethylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-(1H-indol-3-ylmethylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(1H-indol-3-ylmethylene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(1H-indol-3-ylmethylidene)-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1H-indol-3-ylmethylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(1H-indol-3-ylmethylene)-3-keto-7-[(4-methylpiperazin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CNC5=CC=CC=C54)C3=O)[O-]

Isomeric SMILES

CN1CC[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/b21-12-