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

Systemtic Name: 1,6-diphenyl-2-(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione Openeye Name: 1,6-diphenyl-2-(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione CAS Name: 1,6-diphenyl-2-(1-piperidin-1-iumylmethyl)hexane-1,6-dione IUPAC Name: 1,6-diphenyl-2-(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione Traditional Name: 1,6-diphenyl-2-(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione Formula: C24H30NO2+ MolecularWeight: 364.5005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO2/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/p+1