1-piperidin-1-ium-1-ylpropan-2-yl 9H-xanthene-9-carboxylate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl 9H-xanthene-9-carboxylate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) 9H-xanthene-9-carboxylate chloride CAS Name: 9H-xanthene-9-carboxylic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl 9H-xanthene-9-carboxylate chloride Traditional Name: 9H-xanthene-9-carboxylic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C22H26ClNO3 MolecularWeight: 387.89974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCCCC1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24.[Cl-]

InChI

InChI=1S/C22H25NO3.ClH/c1-16(15-23-13-7-2-8-14-23)25-22(24)21-17-9-3-5-11-19(17)26-20-12-6-4-10-18(20)21;/h3-6,9-12,16,21H,2,7-8,13-15H2,1H3;1H