1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[2-(phenylthio)anilino]ethyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[2-(phenylthio)anilino]ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C25H34N4O2S+2 MolecularWeight: 454.62806

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C25H32N4O2S/c26-24(31)25(29-15-7-2-8-16-29)13-17-28(18-14-25)19-23(30)27-21-11-5-6-12-22(21)32-20-9-3-1-4-10-20/h1,3-6,9-12H,2,7-8,13-19H2,(H2,26,31)(H,27,30)/p+2