3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-1-ium-4-ol chloride

Systemtic Name: 3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-1-ium-4-ol chloride Openeye Name: 3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-1-ium-4-ol chloride CAS Name: 3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)-4-piperidin-1-iumol chloride IUPAC Name: 3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-1-ium-4-ol chloride Traditional Name: 3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-1-ium-4-ol chloride Formula: C27H28ClNO MolecularWeight: 417.97032

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH2+]C(C(C1(C#CC2=CC=CC=C2)O)C)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1C([NH2+]C(C(C1(C#CC2=CC=CC=C2)O)C)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H27NO.ClH/c1-20-25(23-14-8-4-9-15-23)28-26(24-16-10-5-11-17-24)21(2)27(20,29)19-18-22-12-6-3-7-13-22;/h3-17,20-21,25-26,28-29H,1-2H3;1H