N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)propanamide

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)propanamide Openeye Name: 3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-N-(4-guanidinosulfonylphenyl)propanamide CAS Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)propanamide IUPAC Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)propanamide Traditional Name: 3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-N-(4-guanidinosulfonylphenyl)propionamide Formula: C23H26N5O3S+ MolecularWeight: 452.54924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3S/c1-16-14-19(18-6-4-3-5-7-18)15-17(2)28(16)13-12-22(29)26-20-8-10-21(11-9-20)32(30,31)27-23(24)25/h3-11,14-15H,12-13H2,1-2H3,(H4-,24,25,26,27,29)/p+1