4-chloranyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]benzenesulfonamide; methyl hydrogen sulfate

Systemtic Name: 4-chloranyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]benzenesulfonamide; methyl hydrogen sulfate Openeye Name: 4-chloro-N-[(E)-(10-methylacridin-10-ium-9-yl)methyleneamino]benzenesulfonamide; methyl hydrogen sulfate CAS Name: 4-chloro-N-[(E)-(10-methyl-9-acridin-10-iumyl)methylideneamino]benzenesulfonamide; sulfuric acid methyl ester IUPAC Name: 4-chloro-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]benzenesulfonamide; methyl hydrogen sulfate Traditional Name: 4-chloro-N-[(E)-(10-methylacridin-10-ium-9-yl)methyleneamino]benzenesulfonamide; sulfuric acid methyl ester Formula: C22H21ClN3O6S2+ MolecularWeight: 523.00164

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C=NNS(=O)(=O)C4=CC=C(C=C4)Cl.COS(=O)(=O)O

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)/C=N/NS(=O)(=O)C4=CC=C(C=C4)Cl.COS(=O)(=O)O

InChI

InChI=1S/C21H16ClN3O2S.CH4O4S/c1-25-20-8-4-2-6-17(20)19(18-7-3-5-9-21(18)25)14-23-24-28(26,27)16-12-10-15(22)11-13-16;1-5-6(2,3)4/h2-14H,1H3;1H3,(H,2,3,4)/p+1