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

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C16H23ClN3O3S+ MolecularWeight: 372.89012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

C1CC[NH+](C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C16H22ClN3O3S/c17-14-6-5-13(24(22,23)20-9-3-4-10-20)11-15(14)18-16(21)12-19-7-1-2-8-19/h5-6,11H,1-4,7-10,12H2,(H,18,21)/p+1