1-[(3S)-3-(hydroxymethyl)-3-(phenylmethyl)piperidin-1-yl]-2-(4-phenylpiperidin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3S)-3-(hydroxymethyl)-3-(phenylmethyl)piperidin-1-yl]-2-(4-phenylpiperidin-1-ium-1-yl)ethanone Openeye Name: 1-[(3S)-3-benzyl-3-(hydroxymethyl)-1-piperidyl]-2-(4-phenylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-[(3S)-3-(hydroxymethyl)-3-(phenylmethyl)-1-piperidinyl]-2-(4-phenyl-1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-[(3S)-3-benzyl-3-methylol-piperidino]-2-(4-phenylpiperidin-1-ium-1-yl)ethanone Formula: C26H35N2O2+ MolecularWeight: 407.5683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C[NH+]2CCC(CC2)C3=CC=CC=C3)(CC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@](CN(C1)C(=O)C[NH+]2CCC(CC2)C3=CC=CC=C3)(CC4=CC=CC=C4)CO

InChI

InChI=1S/C26H34N2O2/c29-21-26(18-22-8-3-1-4-9-22)14-7-15-28(20-26)25(30)19-27-16-12-24(13-17-27)23-10-5-2-6-11-23/h1-6,8-11,24,29H,7,12-21H2/p+1/t26-/m0/s1