1-[3-[3-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethylsulfanyl]propylsulfanyl]propyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[3-[3-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethylsulfanyl]propylsulfanyl]propyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[3-[3-[2-(3-carbamoylpyridin-1-ium-1-yl)ethylsulfanyl]propylsulfanyl]propyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[3-[3-[2-(3-carbamoyl-1-pyridin-1-iumyl)ethylthio]propylthio]propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[3-[3-[2-(3-carbamoylpyridin-1-ium-1-yl)ethylsulfanyl]propylsulfanyl]propyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[3-[3-[2-(3-carbamoylpyridin-1-ium-1-yl)ethylthio]propylthio]propyl]pyridin-1-ium-3-carboxamide Formula: C20H28N4O2S2+2 MolecularWeight: 420.59192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCSCCCSCC[N+]2=CC=CC(=C2)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCSCCCSCC[N+]2=CC=CC(=C2)C(=O)N)C(=O)N

InChI

InChI=1S/C20H26N4O2S2/c21-19(25)17-5-1-7-23(15-17)9-3-11-27-12-4-13-28-14-10-24-8-2-6-18(16-24)20(22)26/h1-2,5-8,15-16H,3-4,9-14H2,(H2-2,21,22,25,26)/p+2