2-chloranyl-5-piperidin-1-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 2-chloranyl-5-piperidin-1-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Openeye Name: 2-chloro-5-(1-piperidylsulfonyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 2-chloro-5-piperidin-1-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Traditional Name: 2-chloro-5-piperidinosulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Formula: C21H33ClN3O3S+ MolecularWeight: 443.02302

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C

InChI

InChI=1S/C21H32ClN3O3S/c1-20(2)13-15(14-21(3,4)24-20)23-19(26)17-12-16(8-9-18(17)22)29(27,28)25-10-6-5-7-11-25/h8-9,12,15,24H,5-7,10-11,13-14H2,1-4H3,(H,23,26)/p+1