methyl 10-methylacridin-10-ium-9-carboxylate; methyl sulfate

Systemtic Name: methyl 10-methylacridin-10-ium-9-carboxylate; methyl sulfate Openeye Name: methyl 10-methylacridin-10-ium-9-carboxylate; methyl sulfate CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid methyl ester; methyl sulfate IUPAC Name: methyl 10-methylacridin-10-ium-9-carboxylate; methyl sulfate Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid methyl ester; methyl sulfate Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H14NO2.CH4O4S/c1-17-13-9-5-3-7-11(13)15(16(18)19-2)12-8-4-6-10-14(12)17;1-5-6(2,3)4/h3-10H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1