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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-phenoxybenzyl)piperidin-1-ium-4-yl]methanone Formula: C28H31N2O2+ MolecularWeight: 427.55794

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H30N2O2/c31-28(30-18-15-23-8-4-5-9-25(23)21-30)24-13-16-29(17-14-24)20-22-7-6-12-27(19-22)32-26-10-2-1-3-11-26/h1-12,19,24H,13-18,20-21H2/p+1