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

Systemtic Name: 2-[(10-methylacridin-10-ium-9-yl)methylamino]ethanoic acid; methyl hydrogen sulfate Openeye Name: 2-[(10-methylacridin-10-ium-9-yl)methylamino]acetic acid; methyl hydrogen sulfate CAS Name: 2-[(10-methyl-9-acridin-10-iumyl)methylamino]acetic acid; sulfuric acid methyl ester IUPAC Name: 2-[(10-methylacridin-10-ium-9-yl)methylamino]acetic acid; methyl hydrogen sulfate Traditional Name: 2-[(10-methylacridin-10-ium-9-yl)methylamino]acetic acid; sulfuric acid methyl ester Formula: C18H21N2O6S+ MolecularWeight: 393.43414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2.CH4O4S/c1-19-15-8-4-2-6-12(15)14(10-18-11-17(20)21)13-7-3-5-9-16(13)19;1-5-6(2,3)4/h2-9,18H,10-11H2,1H3;1H3,(H,2,3,4)/p+1