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

Systemtic Name: 2,6-bis(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)piperidin-1-ium-4-ol chloride Openeye Name: 2,6-bis(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)piperidin-1-ium-4-ol chloride CAS Name: 2,6-bis(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)-4-piperidin-1-iumol chloride IUPAC Name: 2,6-bis(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)piperidin-1-ium-4-ol chloride Traditional Name: 2,6-bis(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)piperidin-1-ium-4-ol chloride Formula: C28H30ClNO3 MolecularWeight: 463.9957

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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)OC)C4=CC=C(C=C4)OC.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO3.ClH/c1-20-27(23-11-15-25(32-3)16-12-23)29-26(22-9-13-24(31-2)14-10-22)19-28(20,30)18-17-21-7-5-4-6-8-21;/h4-16,20,26-27,29-30H,19H2,1-3H3;1H