3-methyl-2,6-bis(4-methylphenyl)-4-(2-phenylethynyl)piperidin-1-ium-4-ol chloride

Systemtic Name: 3-methyl-2,6-bis(4-methylphenyl)-4-(2-phenylethynyl)piperidin-1-ium-4-ol chloride Openeye Name: 3-methyl-4-(2-phenylethynyl)-2,6-bis(p-tolyl)piperidin-1-ium-4-ol chloride CAS Name: 3-methyl-2,6-bis(4-methylphenyl)-4-(2-phenylethynyl)-4-piperidin-1-iumol chloride IUPAC Name: 3-methyl-2,6-bis(4-methylphenyl)-4-(2-phenylethynyl)piperidin-1-ium-4-ol chloride Traditional Name: 3-methyl-4-(2-phenylethynyl)-2,6-bis(p-tolyl)piperidin-1-ium-4-ol chloride Formula: C28H30ClNO MolecularWeight: 431.9969

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH2+]C(CC1(C#CC2=CC=CC=C2)O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.[Cl-]

Isomeric SMILES

CC1C([NH2+]C(CC1(C#CC2=CC=CC=C2)O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.[Cl-]

InChI

InChI=1S/C28H29NO.ClH/c1-20-9-13-24(14-10-20)26-19-28(30,18-17-23-7-5-4-6-8-23)22(3)27(29-26)25-15-11-21(2)12-16-25;/h4-16,22,26-27,29-30H,19H2,1-3H3;1H