methyl hydrogen sulfate; 3-methyl-2-[(10-methylacridin-10-ium-9-yl)methylamino]butanoic acid

Systemtic Name: methyl hydrogen sulfate; 3-methyl-2-[(10-methylacridin-10-ium-9-yl)methylamino]butanoic acid Openeye Name: methyl hydrogen sulfate; 3-methyl-2-[(10-methylacridin-10-ium-9-yl)methylamino]butanoic acid CAS Name: 3-methyl-2-[(10-methyl-9-acridin-10-iumyl)methylamino]butanoic acid; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 3-methyl-2-[(10-methylacridin-10-ium-9-yl)methylamino]butanoic acid Traditional Name: 3-methyl-2-[(10-methylacridin-10-ium-9-yl)methylamino]butyric acid; sulfuric acid methyl ester Formula: C21H27N2O6S+ MolecularWeight: 435.51388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C.COS(=O)(=O)O

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C.COS(=O)(=O)O

InChI

InChI=1S/C20H22N2O2.CH4O4S/c1-13(2)19(20(23)24)21-12-16-14-8-4-6-10-17(14)22(3)18-11-7-5-9-15(16)18;1-5-6(2,3)4/h4-11,13,19,21H,12H2,1-3H3;1H3,(H,2,3,4)/p+1