(1-methylpiperidin-1-ium-4-yl) 9H-xanthene-9-carboxylate chloride

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 9H-xanthene-9-carboxylate chloride Openeye Name: (1-methylpiperidin-1-ium-4-yl) 9H-xanthene-9-carboxylate chloride CAS Name: 9H-xanthene-9-carboxylic acid (1-methyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 9H-xanthene-9-carboxylate chloride Traditional Name: 9H-xanthene-9-carboxylic acid (1-methylpiperidin-1-ium-4-yl) ester chloride Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24.[Cl-]

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24.[Cl-]

InChI

InChI=1S/C20H21NO3.ClH/c1-21-12-10-14(11-13-21)23-20(22)19-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)19;/h2-9,14,19H,10-13H2,1H3;1H