(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide

Systemtic Name: (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2R)-2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2R)-2-(4-brosylpiperazin-1-ium-1-yl)-N-cyclopropyl-propionamide Formula: C16H23BrN3O3S+ MolecularWeight: 417.34112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H22BrN3O3S/c1-12(16(21)18-14-4-5-14)19-8-10-20(11-9-19)24(22,23)15-6-2-13(17)3-7-15/h2-3,6-7,12,14H,4-5,8-11H2,1H3,(H,18,21)/p+1/t12-/m1/s1