3-[(3S,4R)-1,4-dimethylpiperidin-1-ium-3-yl]-1,1-diphenyl-prop-2-yn-1-ol

Systemtic Name: 3-[(3S,4R)-1,4-dimethylpiperidin-1-ium-3-yl]-1,1-diphenyl-prop-2-yn-1-ol Openeye Name: 3-[(3S,4R)-1,4-dimethylpiperidin-1-ium-3-yl]-1,1-diphenyl-prop-2-yn-1-ol CAS Name: 3-[(3S,4R)-1,4-dimethyl-3-piperidin-1-iumyl]-1,1-diphenyl-2-propyn-1-ol IUPAC Name: 3-[(3S,4R)-1,4-dimethylpiperidin-1-ium-3-yl]-1,1-diphenylprop-2-yn-1-ol Traditional Name: 3-[(3S,4R)-1,4-dimethylpiperidin-1-ium-3-yl]-1,1-diphenyl-prop-2-yn-1-ol Formula: C22H26NO+ MolecularWeight: 320.44794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)C

Isomeric SMILES

C[C@@H]1CC[NH+](C[C@@H]1C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)C

InChI

InChI=1S/C22H25NO/c1-18-14-16-23(2)17-19(18)13-15-22(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,18-19,24H,14,16-17H2,1-2H3/p+1/t18-,19+/m1/s1