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

Systemtic Name: 3-methyl-2-[(10-methylacridin-10-ium-9-yl)amino]butanoic acid; methyl sulfate Openeye Name: 3-methyl-2-[(10-methylacridin-10-ium-9-yl)amino]butanoic acid; methyl sulfate CAS Name: 3-methyl-2-[(10-methyl-9-acridin-10-iumyl)amino]butanoic acid; methyl sulfate IUPAC Name: 3-methyl-2-[(10-methylacridin-10-ium-9-yl)amino]butanoic acid; methyl sulfate Traditional Name: 3-methyl-2-[(10-methylacridin-10-ium-9-yl)amino]butyric acid; methyl sulfate Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)NC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H20N2O2.CH4O4S/c1-12(2)17(19(22)23)20-18-13-8-4-6-10-15(13)21(3)16-11-7-5-9-14(16)18;1-5-6(2,3)4/h4-12,17H,1-3H3,(H,22,23);1H3,(H,2,3,4)