2-[4-[(10-methylacridin-10-ium-9-yl)methylamino]phenyl]sulfonylguanidine; methyl sulfate

Systemtic Name: 2-[4-[(10-methylacridin-10-ium-9-yl)methylamino]phenyl]sulfonylguanidine; methyl sulfate Openeye Name: 2-[4-[(10-methylacridin-10-ium-9-yl)methylamino]phenyl]sulfonylguanidine; methyl sulfate CAS Name: 2-[4-[(10-methyl-9-acridin-10-iumyl)methylamino]phenyl]sulfonylguanidine; methyl sulfate IUPAC Name: 2-[4-[(10-methylacridin-10-ium-9-yl)methylamino]phenyl]sulfonylguanidine; methyl sulfate Traditional Name: 2-[4-[(10-methylacridin-10-ium-9-yl)methylamino]phenyl]sulfonylguanidine; methyl sulfate Formula: C23H25N5O6S2 MolecularWeight: 531.6045

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)CNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)CNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H22N5O2S.CH4O4S/c1-27-20-8-4-2-6-17(20)19(18-7-3-5-9-21(18)27)14-25-15-10-12-16(13-11-15)30(28,29)26-22(23)24;1-5-6(2,3)4/h2-13,25H,14H2,1H3,(H4,23,24,26);1H3,(H,2,3,4)/q+1;/p-1