3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide Openeye Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)propanamide IUPAC Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propionamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C22H35N3O3S/c1-21(2)15-18(16-22(3,4)24-21)23-20(26)12-9-17-7-10-19(11-8-17)29(27,28)25-13-5-6-14-25/h7-8,10-11,18,24H,5-6,9,12-16H2,1-4H3,(H,23,26)/p+1