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

Systemtic Name: (1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine Openeye Name: (1R)-1-(1-indan-2-ylpiperidin-1-ium-4-yl)-N-methyl-2-phenyl-N-(4-pyridylmethyl)ethanamine CAS Name: (1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine IUPAC Name: (1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine Traditional Name: [(1R)-1-(1-indan-2-ylpiperidin-1-ium-4-yl)-2-phenyl-ethyl]-methyl-(4-pyridylmethyl)amine Formula: C29H36N3+ MolecularWeight: 426.61624

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NC=C1)C(CC2=CC=CC=C2)C3CC[NH+](CC3)C4CC5=CC=CC=C5C4

Isomeric SMILES

CN(CC1=CC=NC=C1)[C@H](CC2=CC=CC=C2)C3CC[NH+](CC3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C29H35N3/c1-31(22-24-11-15-30-16-12-24)29(19-23-7-3-2-4-8-23)25-13-17-32(18-14-25)28-20-26-9-5-6-10-27(26)21-28/h2-12,15-16,25,28-29H,13-14,17-22H2,1H3/p+1/t29-/m1/s1