2,6-diphenyl-4-(2-phenylethynyl)-3-propyl-piperidin-4-ol hydrochloride

Systemtic Name: 2,6-diphenyl-4-(2-phenylethynyl)-3-propyl-piperidin-4-ol hydrochloride Openeye Name: 2,6-diphenyl-4-(2-phenylethynyl)-3-propyl-piperidin-4-ol hydrochloride CAS Name: 2,6-diphenyl-4-(2-phenylethynyl)-3-propyl-4-piperidinol hydrochloride IUPAC Name: 2,6-diphenyl-4-(2-phenylethynyl)-3-propylpiperidin-4-ol hydrochloride Traditional Name: 2,6-diphenyl-4-(2-phenylethynyl)-3-propyl-piperidin-4-ol hydrochloride Formula: C28H30ClNO MolecularWeight: 431.9969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(NC(CC1(C#CC2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

CCCC1C(NC(CC1(C#CC2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C28H29NO.ClH/c1-2-12-25-27(24-17-10-5-11-18-24)29-26(23-15-8-4-9-16-23)21-28(25,30)20-19-22-13-6-3-7-14-22;/h3-11,13-18,25-27,29-30H,2,12,21H2,1H3;1H