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

Systemtic Name: 2-[(10-methylacridin-10-ium-9-yl)amino]ethanoic acid; methyl hydrogen sulfate Openeye Name: 2-[(10-methylacridin-10-ium-9-yl)amino]acetic acid; methyl hydrogen sulfate CAS Name: 2-[(10-methyl-9-acridin-10-iumyl)amino]acetic acid; sulfuric acid methyl ester IUPAC Name: 2-[(10-methylacridin-10-ium-9-yl)amino]acetic acid; methyl hydrogen sulfate Traditional Name: 2-[(10-methylacridin-10-ium-9-yl)amino]acetic acid; sulfuric acid methyl ester Formula: C17H19N2O6S+ MolecularWeight: 379.40756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O2.CH4O4S/c1-18-13-8-4-2-6-11(13)16(17-10-15(19)20)12-7-3-5-9-14(12)18;1-5-6(2,3)4/h2-9H,10H2,1H3,(H,19,20);1H3,(H,2,3,4)/p+1