3-(1H-benzimidazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1H-benzimidazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(1H-benzimidazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(1H-benzimidazol-2-yl)-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1H-benzimidazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 3-(1H-benzimidazol-2-yl)-2-keto-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5N4)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5N4)[O-]

InChI

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