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

Systemtic Name: (2Z)-2-(1H-indol-3-ylmethylidene)-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(1H-indol-3-ylmethylene)-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(1H-indol-3-ylmethylidene)-7-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1H-indol-3-ylmethylidene)-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(1H-indol-3-ylmethylene)-3-keto-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]coumaran-6-olate Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CNC5=CC=CC=C54)C3=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CNC5=CC=CC=C54)/C3=O)[O-]

InChI

InChI=1S/C24H24N2O3/c1-15-5-4-10-26(13-15)14-19-21(27)9-8-18-23(28)22(29-24(18)19)11-16-12-25-20-7-3-2-6-17(16)20/h2-3,6-9,11-12,15,25,27H,4-5,10,13-14H2,1H3/b22-11-/t15-/m0/s1