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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H30N2O2/c31-28(30-17-15-23-9-4-5-10-24(23)21-30)25-11-7-16-29(20-25)19-22-8-6-14-27(18-22)32-26-12-2-1-3-13-26/h1-6,8-10,12-14,18,25H,7,11,15-17,19-21H2/p+1/t25-/m1/s1