N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-10-methyl-acridin-10-ium-9-carboxamide; methyl sulfate

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-10-methyl-acridin-10-ium-9-carboxamide; methyl sulfate Openeye Name: N-(4-guanidinosulfonylphenyl)-10-methyl-acridin-10-ium-9-carboxamide; methyl sulfate CAS Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-10-methyl-9-acridin-10-iumcarboxamide; methyl sulfate IUPAC Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-10-methylacridin-10-ium-9-carboxamide; methyl sulfate Traditional Name: N-(4-guanidinosulfonylphenyl)-10-methyl-acridin-10-ium-9-carboxamide; methyl sulfate Formula: C23H23N5O7S2 MolecularWeight: 545.58802

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)NC4=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)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H19N5O3S.CH4O4S/c1-27-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)27)21(28)25-14-10-12-15(13-11-14)31(29,30)26-22(23)24;1-5-6(2,3)4/h2-13H,1H3,(H4-,23,24,25,26,28);1H3,(H,2,3,4)