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

Systemtic Name: 3-(1H-benzimidazol-3-ium-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-8-[(3-methylpiperidin-1-ium-1-yl)methyl]coumarin Formula: C23H25N3O3+2 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=[NH+]C5=CC=CC=C5N4)O

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=[NH+]C5=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)/p+2