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

Systemtic Name: methyl sulfate; phenyl 10-methylacridin-10-ium-9-carboxylate Openeye Name: methyl sulfate; phenyl 10-methylacridin-10-ium-9-carboxylate CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid phenyl ester; methyl sulfate IUPAC Name: methyl sulfate; phenyl 10-methylacridin-10-ium-9-carboxylate Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid phenyl ester; methyl sulfate Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=CC=C4.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=CC=C4.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H16NO2.CH4O4S/c1-22-18-13-7-5-11-16(18)20(17-12-6-8-14-19(17)22)21(23)24-15-9-3-2-4-10-15;1-5-6(2,3)4/h2-14H,1H3;1H3,(H,2,3,4)/q+1;/p-1