1-[2,6-bis(chloranyl)phenyl]sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-[2,6-bis(chloranyl)phenyl]sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(2,6-dichlorophenyl)sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(2,6-dichlorophenyl)sulfonyl-N-(1-ethyl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(2,6-dichlorophenyl)sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-(2,6-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=C3Cl)Cl

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl

InChI

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