N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C18H27ClN3O3S+ MolecularWeight: 400.94328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C18H26ClN3O3S/c19-16-8-7-15(26(24,25)22-11-5-2-6-12-22)13-17(16)20-18(23)14-21-9-3-1-4-10-21/h7-8,13H,1-6,9-12,14H2,(H,20,23)/p+1