(3S)-1-(4-bromophenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-brosyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)nipecotamide Formula: C21H33BrN3O3S+ MolecularWeight: 487.47402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H32BrN3O3S/c1-20(2)12-17(13-21(3,4)24-20)23-19(26)15-6-5-11-25(14-15)29(27,28)18-9-7-16(22)8-10-18/h7-10,15,17,24H,5-6,11-14H2,1-4H3,(H,23,26)/p+1/t15-/m0/s1