1,6-diphenyl-2-(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione chloride

Systemtic Name: 1,6-diphenyl-2-(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione chloride Openeye Name: 1,6-diphenyl-2-(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione chloride CAS Name: 1,6-diphenyl-2-(1-piperidin-1-iumylmethyl)hexane-1,6-dione chloride IUPAC Name: 1,6-diphenyl-2-(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione chloride Traditional Name: 1,6-diphenyl-2-(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione chloride Formula: C24H30ClNO2 MolecularWeight: 399.9535

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(CCCC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC(CCCC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C24H29NO2.ClH/c26-23(20-11-4-1-5-12-20)16-10-15-22(19-25-17-8-3-9-18-25)24(27)21-13-6-2-7-14-21;/h1-2,4-7,11-14,22H,3,8-10,15-19H2;1H