2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(7-oxidanylisoquinolin-8-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(7-oxidanylisoquinolin-8-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(7-hydroxy-8-isoquinolyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(7-hydroxy-8-isoquinolinyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(7-hydroxyisoquinolin-8-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(7-hydroxy-8-isoquinolyl)methyl]piperidin-1-ium-4-yl]methanone Formula: C24H25N2O4+ MolecularWeight: 405.4663

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=C(C=CC5=C4C=NC=C5)O

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=C(C=CC5=C4C=NC=C5)O

InChI

InChI=1S/C24H24N2O4/c27-21-3-1-16-5-8-25-14-19(16)20(21)15-26-9-6-17(7-10-26)24(28)18-2-4-22-23(13-18)30-12-11-29-22/h1-5,8,13-14,17,27H,6-7,9-12,15H2/p+1