[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]azanium

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]azanium Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]ammonium CAS Name: [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]ammonium IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]azanium Traditional Name: [2-keto-2-(4-mesylpiperazino)ethyl]-[2-pyrrolidino-5-(trifluoromethyl)phenyl]ammonium Formula: C18H26F3N4O3S+ MolecularWeight: 435.48425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C[NH2+]C2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C[NH2+]C2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

InChI

InChI=1S/C18H25F3N4O3S/c1-29(27,28)25-10-8-24(9-11-25)17(26)13-22-15-12-14(18(19,20)21)4-5-16(15)23-6-2-3-7-23/h4-5,12,22H,2-3,6-11,13H2,1H3/p+1