(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine

Systemtic Name: (1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine Openeye Name: (1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-N-methyl-2-phenyl-N-(3-pyridylmethyl)ethanamine CAS Name: (1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]-N-methyl-2-phenyl-N-(3-pyridinylmethyl)ethanamine IUPAC Name: (1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine Traditional Name: methyl-[(1R)-2-phenyl-1-(1-piperonylpiperidin-1-ium-4-yl)ethyl]-(3-pyridylmethyl)amine Formula: C28H34N3O2+ MolecularWeight: 444.58846

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=CC=C1)C(CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(CC1=CN=CC=C1)[C@H](CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H33N3O2/c1-30(19-24-8-5-13-29-18-24)26(16-22-6-3-2-4-7-22)25-11-14-31(15-12-25)20-23-9-10-27-28(17-23)33-21-32-27/h2-10,13,17-18,25-26H,11-12,14-16,19-21H2,1H3/p+1/t26-/m1/s1