4-chloranyl-3-pyrrolidin-1-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Formula: C20H31ClN3O3S+ MolecularWeight: 428.99644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C20H30ClN3O3S/c1-19(2)12-15(13-20(3,4)23-19)22-18(25)14-7-8-16(21)17(11-14)28(26,27)24-9-5-6-10-24/h7-8,11,15,23H,5-6,9-10,12-13H2,1-4H3,(H,22,25)/p+1