(2R)-1-pyrrolidin-1-yl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2R)-1-pyrrolidin-1-yl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-pyrrolidin-1-yl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(1-pyrrolidinyl)-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-pyrrolidin-1-yl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)-1-pyrrolidino-propan-1-one Formula: C20H32N3O3S+ MolecularWeight: 394.55138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)N3CCCC3)C

InChI

InChI=1S/C20H31N3O3S/c1-15-13-16(2)19(17(3)14-15)27(25,26)23-11-9-21(10-12-23)18(4)20(24)22-7-5-6-8-22/h13-14,18H,5-12H2,1-4H3/p+1/t18-/m1/s1