calcium 2-(1-methyl-6-phenacyl-piperidin-2-yl)-1-phenyl-ethanolate

Systemtic Name: calcium 2-(1-methyl-6-phenacyl-piperidin-2-yl)-1-phenyl-ethanolate Openeye Name: calcium 2-(1-methyl-6-phenacyl-2-piperidyl)-1-phenyl-ethanolate CAS Name: calcium 2-(1-methyl-6-phenacyl-2-piperidinyl)-1-phenylethanolate IUPAC Name: calcium 2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethanolate Traditional Name: calcium 2-(1-methyl-6-phenacyl-2-piperidyl)-1-phenyl-ethanolate Formula: C44H52CaN2O4 MolecularWeight: 712.97268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)[O-].CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)[O-].[Ca+2]

Isomeric SMILES

CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)[O-].CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)[O-].[Ca+2]

InChI

InChI=1S/2C22H26NO2.Ca/c2*1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2*2-7,9-12,19-21H,8,13-16H2,1H3;/q2*-1;+2