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

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-2-(2,4-diphenyl-6-propyl-pyridin-1-ium-1-yl)ethanamide Openeye Name: 2-(2,4-diphenyl-6-propyl-pyridin-1-ium-1-yl)-N-(4-guanidinosulfonylphenyl)acetamide CAS Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-2-(2,4-diphenyl-6-propyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-2-(2,4-diphenyl-6-propylpyridin-1-ium-1-yl)acetamide Traditional Name: 2-(2,4-diphenyl-6-propyl-pyridin-1-ium-1-yl)-N-(4-guanidinosulfonylphenyl)acetamide Formula: C29H30N5O3S+ MolecularWeight: 528.6452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=[N+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=CC(=[N+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H29N5O3S/c1-2-9-25-18-23(21-10-5-3-6-11-21)19-27(22-12-7-4-8-13-22)34(25)20-28(35)32-24-14-16-26(17-15-24)38(36,37)33-29(30)31/h3-8,10-19H,2,9,20H2,1H3,(H4-,30,31,32,33,35)/p+1