1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]piperidin-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]piperidin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-piperidyl]-2-phenyl-ethanone CAS Name: 1-[4-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-piperidinyl]-2-phenylethanone IUPAC Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]piperidin-1-yl]-2-phenylethanone Traditional Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]piperidino]-2-phenyl-ethanone Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C2CCN(CC2)C(=O)CC3=CC=CC=C3)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)C2CCN(CC2)C(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H30N2O/c1-16-12-17(2)15-22(14-16)19-8-10-21(11-9-19)20(23)13-18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3/p+1/t16-,17-/m1/s1