3,4-dihydro-1H-isoquinolin-2-yl-[1-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC5=C(C=C4O)OCO5

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC5=C(C=C4O)OCO5

InChI

InChI=1S/C23H26N2O4/c26-20-12-22-21(28-15-29-22)11-19(20)13-24-8-5-17(6-9-24)23(27)25-10-7-16-3-1-2-4-18(16)14-25/h1-4,11-12,17,26H,5-10,13-15H2/p+1