1,1-diphenyl-4-(1,1,2-trimethylpiperidin-1-ium-2-yl)but-3-yn-1-ol

Systemtic Name: 1,1-diphenyl-4-(1,1,2-trimethylpiperidin-1-ium-2-yl)but-3-yn-1-ol Openeye Name: 1,1-diphenyl-4-(1,1,2-trimethylpiperidin-1-ium-2-yl)but-3-yn-1-ol CAS Name: 1,1-diphenyl-4-(1,1,2-trimethyl-2-piperidin-1-iumyl)-3-butyn-1-ol IUPAC Name: 1,1-diphenyl-4-(1,1,2-trimethylpiperidin-1-ium-2-yl)but-3-yn-1-ol Traditional Name: 1,1-diphenyl-4-(1,1,2-trimethylpiperidin-1-ium-2-yl)but-3-yn-1-ol Formula: C24H30NO+ MolecularWeight: 348.5011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC[N+]1(C)C)C#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O

Isomeric SMILES

CC1(CCCC[N+]1(C)C)C#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C24H30NO/c1-23(17-10-11-20-25(23,2)3)18-12-19-24(26,21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-9,13-16,26H,10-11,17,19-20H2,1-3H3/q+1