N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2-amine

Systemtic Name: N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2-amine Openeye Name: N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2-amine CAS Name: N-methyl-5-(1-pyrrolidinylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridin-1-iumamine IUPAC Name: N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2-amine Traditional Name: methyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)-[4-(trifluoromethyl)benzyl]amine Formula: C18H21F3N3O2S+ MolecularWeight: 400.43845

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(F)(F)F)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(F)(F)F)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20F3N3O2S/c1-23(13-14-4-6-15(7-5-14)18(19,20)21)17-9-8-16(12-22-17)27(25,26)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3/p+1