3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: [1-[(3-benzyloxyphenyl)methyl]piperidin-1-ium-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: [1-(3-benzoxybenzyl)piperidin-1-ium-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C29H33N2O2+ MolecularWeight: 441.58452

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H32N2O2/c32-29(31-18-15-25-10-4-5-11-27(25)21-31)26-13-16-30(17-14-26)20-24-9-6-12-28(19-24)33-22-23-7-2-1-3-8-23/h1-12,19,26H,13-18,20-22H2/p+1