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

Systemtic Name: 2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propyl-piperidin-1-ium-4-ol chloride Openeye Name: 2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propyl-piperidin-1-ium-4-ol chloride CAS Name: 2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propyl-4-piperidin-1-iumol chloride IUPAC Name: 2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propylpiperidin-1-ium-4-ol chloride Traditional Name: 2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propyl-piperidin-1-ium-4-ol chloride Formula: C30H34ClNO3 MolecularWeight: 492.04886

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C([NH2+]C(CC1(C#CC2=CC=CC=C2)O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC.[Cl-]

Isomeric SMILES

CCCC1C([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/C30H33NO3.ClH/c1-4-8-27-29(24-13-17-26(34-3)18-14-24)31-28(23-11-15-25(33-2)16-12-23)21-30(27,32)20-19-22-9-6-5-7-10-22;/h5-7,9-18,27-29,31-32H,4,8,21H2,1-3H3;1H