(1,2-dimethylpyrrolidin-1-ium-1-yl)methyl 9-methylxanthene-9-carboxylate chloride

Systemtic Name: (1,2-dimethylpyrrolidin-1-ium-1-yl)methyl 9-methylxanthene-9-carboxylate chloride Openeye Name: (1,2-dimethylpyrrolidin-1-ium-1-yl)methyl 9-methylxanthene-9-carboxylate chloride CAS Name: 9-methyl-9-xanthenecarboxylic acid (1,2-dimethyl-1-pyrrolidin-1-iumyl)methyl ester chloride IUPAC Name: (1,2-dimethylpyrrolidin-1-ium-1-yl)methyl 9-methylxanthene-9-carboxylate chloride Traditional Name: 9-methylxanthene-9-carboxylic acid (1,2-dimethylpyrrolidin-1-ium-1-yl)methyl ester chloride Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[N+]1(C)COC(=O)C2(C3=CC=CC=C3OC4=CC=CC=C42)C.[Cl-]

Isomeric SMILES

CC1CCC[N+]1(C)COC(=O)C2(C3=CC=CC=C3OC4=CC=CC=C42)C.[Cl-]

InChI

InChI=1S/C22H26NO3.ClH/c1-16-9-8-14-23(16,3)15-25-21(24)22(2)17-10-4-6-12-19(17)26-20-13-7-5-11-18(20)22;/h4-7,10-13,16H,8-9,14-15H2,1-3H3;1H/q+1;/p-1