4-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-1-phenyl-1-pyridin-2-yl-butan-1-ol

Systemtic Name: 4-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-1-phenyl-1-pyridin-2-yl-butan-1-ol Openeye Name: 4-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-1-phenyl-1-(2-pyridyl)butan-1-ol CAS Name: 4-[(2S,6R)-2,6-dimethyl-1-piperidin-1-iumyl]-1-phenyl-1-(2-pyridinyl)-1-butanol IUPAC Name: 4-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-1-phenyl-1-pyridin-2-ylbutan-1-ol Traditional Name: 4-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-1-phenyl-1-(2-pyridyl)butan-1-ol Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C

Isomeric SMILES

C[C@@H]1CCC[C@@H]([NH+]1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C

InChI

InChI=1S/C22H30N2O/c1-18-10-8-11-19(2)24(18)17-9-15-22(25,20-12-4-3-5-13-20)21-14-6-7-16-23-21/h3-7,12-14,16,18-19,25H,8-11,15,17H2,1-2H3/p+1/t18-,19+,22?