[(1S)-2-[[(2R)-1-(4-bromophenyl)sulfonylpiperidin-2-yl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[(2R)-1-(4-bromophenyl)sulfonylpiperidin-2-yl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[(2R)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[(2R)-1-(4-bromophenyl)sulfonyl-2-piperidinyl]-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[(2R)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[(2R)-1-brosylpipecoloyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C22H29BrN3O3S+ MolecularWeight: 495.45296

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1CCCCN1S(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C22H28BrN3O3S/c1-25(2)21(17-8-4-3-5-9-17)16-24-22(27)20-10-6-7-15-26(20)30(28,29)19-13-11-18(23)12-14-19/h3-5,8-9,11-14,20-21H,6-7,10,15-16H2,1-2H3,(H,24,27)/p+1/t20-,21-/m1/s1