[(1R)-1-[1-(1-adamantylcarbonyl)piperidin-4-yl]-2-phenyl-ethyl]-methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(1R)-1-[1-(1-adamantylcarbonyl)piperidin-4-yl]-2-phenyl-ethyl]-methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [(1R)-1-[1-(adamantane-1-carbonyl)-4-piperidyl]-2-phenyl-ethyl]-methyl-(3-pyridylmethyl)ammonium CAS Name: [(1R)-1-[1-[1-adamantyl(oxo)methyl]-4-piperidinyl]-2-phenylethyl]-methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [(1R)-1-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenylethyl]-methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [(1R)-1-[1-(adamantane-1-carbonyl)-4-piperidyl]-2-phenyl-ethyl]-methyl-(3-pyridylmethyl)ammonium Formula: C31H42N3O+ MolecularWeight: 472.68468

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=CC=C1)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C[NH+](CC1=CN=CC=C1)[C@H](CC2=CC=CC=C2)C3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H41N3O/c1-33(22-24-8-5-11-32-21-24)29(17-23-6-3-2-4-7-23)28-9-12-34(13-10-28)30(35)31-18-25-14-26(19-31)16-27(15-25)20-31/h2-8,11,21,25-29H,9-10,12-20,22H2,1H3/p+1/t25?,26?,27?,29-,31?/m1/s1