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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NC=C1)C(CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

CN(CC1=CC=NC=C1)[C@H](CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=C5C(=CC=C4)OCO5

InChI

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