3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-7-oxidanyl-8-(piperidin-1-ylmethyl)chromen-2-one

Systemtic Name: 3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-7-oxidanyl-8-(piperidin-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(1-piperidylmethyl)chromen-2-one CAS Name: 7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(1-piperidinylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(piperidin-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(piperidinomethyl)coumarin Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)C3=CC4=C(C(=C(C=C4)O)CN5CCCCC5)OC3=O

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)C3=CC4=C(C(=C(C=C4)O)CN5CCCCC5)OC3=O

InChI

InChI=1S/C23H23N3O3/c1-25-19-8-4-3-7-18(19)24-22(25)16-13-15-9-10-20(27)17(21(15)29-23(16)28)14-26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,27,28)/p+1