1-[2,5-bis(chloranyl)phenyl]sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(2,5-dichlorophenyl)sulfonyl-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C17H24Cl2N3O3S+ MolecularWeight: 421.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)C(=O)N

InChI

InChI=1S/C17H23Cl2N3O3S/c18-13-4-5-14(19)15(12-13)26(24,25)22-10-6-17(7-11-22,16(20)23)21-8-2-1-3-9-21/h4-5,12H,1-3,6-11H2,(H2,20,23)/p+1