3-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazole

Systemtic Name: 3-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazole Openeye Name: 3-[3-(5-ethylsulfonyl-2-thienyl)phenyl]-1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazole CAS Name: 3-[3-(5-ethylsulfonyl-2-thiophenyl)phenyl]-1-[[(3S)-3-pyrrolidin-1-iumyl]methyl]pyrazole IUPAC Name: 3-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazole Traditional Name: 3-[3-(5-esyl-2-thienyl)phenyl]-1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazole Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(S1)C2=CC=CC(=C2)C3=NN(C=C3)CC4CC[NH2+]C4

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(S1)C2=CC=CC(=C2)C3=NN(C=C3)C[C@H]4CC[NH2+]C4

InChI

InChI=1S/C20H23N3O2S2/c1-2-27(24,25)20-7-6-19(26-20)17-5-3-4-16(12-17)18-9-11-23(22-18)14-15-8-10-21-13-15/h3-7,9,11-12,15,21H,2,8,10,13-14H2,1H3/p+1/t15-/m0/s1