[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [(3R)-1-(4-bromophenyl)sulfonyl-3-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [(3R)-1-(4-bromophenyl)sulfonyl-3-piperidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [(3R)-1-brosyl-3-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C17H25BrN3O3S+ MolecularWeight: 431.3677

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrN3O3S/c1-19-9-11-20(12-10-19)17(22)14-3-2-8-21(13-14)25(23,24)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13H2,1H3/p+1/t14-/m1/s1