(2R)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-propan-1-one Formula: C21H28N3O3S+ MolecularWeight: 402.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H27N3O3S/c1-17(21(25)23-10-4-5-11-23)22-12-14-24(15-13-22)28(26,27)20-9-8-18-6-2-3-7-19(18)16-20/h2-3,6-9,16-17H,4-5,10-15H2,1H3/p+1/t17-/m1/s1