5-azanyl-2-[(10-methylacridin-10-ium-9-yl)amino]-5-oxidanylidene-pentanoic acid; methyl hydrogen sulfate

Systemtic Name: 5-azanyl-2-[(10-methylacridin-10-ium-9-yl)amino]-5-oxidanylidene-pentanoic acid; methyl hydrogen sulfate Openeye Name: 5-amino-2-[(10-methylacridin-10-ium-9-yl)amino]-5-oxo-pentanoic acid; methyl hydrogen sulfate CAS Name: 5-amino-2-[(10-methyl-9-acridin-10-iumyl)amino]-5-oxopentanoic acid; sulfuric acid methyl ester IUPAC Name: 5-amino-2-[(10-methylacridin-10-ium-9-yl)amino]-5-oxopentanoic acid; methyl hydrogen sulfate Traditional Name: 5-amino-5-keto-2-[(10-methylacridin-10-ium-9-yl)amino]valeric acid; sulfuric acid methyl ester Formula: C20H24N3O7S+ MolecularWeight: 450.48546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3.CH4O4S/c1-22-15-8-4-2-6-12(15)18(13-7-3-5-9-16(13)22)21-14(19(24)25)10-11-17(20)23;1-5-6(2,3)4/h2-9,14H,10-11H2,1H3,(H3,20,23,24,25);1H3,(H,2,3,4)/p+1