N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethanamide Openeye Name: 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-N-(4-guanidinosulfonylphenyl)acetamide CAS Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-2-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetamide Traditional Name: 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-N-(4-guanidinosulfonylphenyl)acetamide Formula: C22H24N5O3S+ MolecularWeight: 438.52266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=[N+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5O3S/c1-15-12-18(17-6-4-3-5-7-17)13-16(2)27(15)14-21(28)25-19-8-10-20(11-9-19)31(29,30)26-22(23)24/h3-13H,14H2,1-2H3,(H4-,23,24,25,26,28)/p+1