1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-piperonyl-ammonium Formula: C26H33N2O5+ MolecularWeight: 453.55062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C[NH+](CC3=CC4=C(C=C3)OCO4)C5CCCC5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C[NH+](CC3=CC4=C(C=C3)OCO4)C5CCCC5)OC

InChI

InChI=1S/C26H32N2O5/c1-30-23-12-19-9-10-27(15-20(19)13-24(23)31-2)26(29)16-28(21-5-3-4-6-21)14-18-7-8-22-25(11-18)33-17-32-22/h7-8,11-13,21H,3-6,9-10,14-17H2,1-2H3/p+1