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

Systemtic Name: (1R)-N-methyl-1-[1-(oxan-4-yl)piperidin-1-ium-4-yl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine Openeye Name: (1R)-N-methyl-2-phenyl-N-(4-pyridylmethyl)-1-(1-tetrahydropyran-4-ylpiperidin-1-ium-4-yl)ethanamine CAS Name: (1R)-N-methyl-1-[1-(4-oxanyl)-4-piperidin-1-iumyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine IUPAC Name: (1R)-N-methyl-1-[1-(oxan-4-yl)piperidin-1-ium-4-yl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine Traditional Name: methyl-[(1R)-2-phenyl-1-(1-tetrahydropyran-4-ylpiperidin-1-ium-4-yl)ethyl]-(4-pyridylmethyl)amine Formula: C25H36N3O+ MolecularWeight: 394.57284

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NC=C1)C(CC2=CC=CC=C2)C3CC[NH+](CC3)C4CCOCC4

Isomeric SMILES

CN(CC1=CC=NC=C1)[C@H](CC2=CC=CC=C2)C3CC[NH+](CC3)C4CCOCC4

InChI

InChI=1S/C25H35N3O/c1-27(20-22-7-13-26-14-8-22)25(19-21-5-3-2-4-6-21)23-9-15-28(16-10-23)24-11-17-29-18-12-24/h2-8,13-14,23-25H,9-12,15-20H2,1H3/p+1/t25-/m1/s1