1-[2,6-bis(chloranyl)phenyl]sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-[2,6-bis(chloranyl)phenyl]sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(2,6-dichlorophenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(2,6-dichlorophenyl)sulfonyl-N-[3-(1-piperidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,6-dichlorophenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(2,6-dichlorophenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)isonipecotamide Formula: C20H30Cl2N3O3S+ MolecularWeight: 463.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C20H29Cl2N3O3S/c21-17-6-4-7-18(22)19(17)29(27,28)25-14-8-16(9-15-25)20(26)23-10-5-13-24-11-2-1-3-12-24/h4,6-7,16H,1-3,5,8-15H2,(H,23,26)/p+1