pyridin-1-ium-1-ylmethyl 9-methylxanthene-9-carboxylate chloride

Systemtic Name: pyridin-1-ium-1-ylmethyl 9-methylxanthene-9-carboxylate chloride Openeye Name: pyridin-1-ium-1-ylmethyl 9-methylxanthene-9-carboxylate chloride CAS Name: 9-methyl-9-xanthenecarboxylic acid 1-pyridin-1-iumylmethyl ester chloride IUPAC Name: pyridin-1-ium-1-ylmethyl 9-methylxanthene-9-carboxylate chloride Traditional Name: 9-methylxanthene-9-carboxylic acid pyridin-1-ium-1-ylmethyl ester chloride Formula: C21H18ClNO3 MolecularWeight: 367.82552

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2OC3=CC=CC=C31)C(=O)OC[N+]4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1(C2=CC=CC=C2OC3=CC=CC=C31)C(=O)OC[N+]4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H18NO3.ClH/c1-21(20(23)24-15-22-13-7-2-8-14-22)16-9-3-5-11-18(16)25-19-12-6-4-10-17(19)21;/h2-14H,15H2,1H3;1H/q+1;/p-1