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

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(2,5-dichlorophenyl)sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(2,5-dichlorophenyl)sulfonyl-N-(1-ethyl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(2,5-dichlorophenyl)sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-(2,5-dichlorophenyl)sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)isonipecotamide Formula: C19H28Cl2N3O3S+ MolecularWeight: 449.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C19H27Cl2N3O3S/c1-2-23-9-7-16(8-10-23)22-19(25)14-5-11-24(12-6-14)28(26,27)18-13-15(20)3-4-17(18)21/h3-4,13-14,16H,2,5-12H2,1H3,(H,22,25)/p+1