N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (2-chloro-6-fluoro-benzyl)-methyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C17H20ClFN3O2S+ MolecularWeight: 384.876003

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H19ClFN3O2S/c1-21(12-14-15(18)5-4-6-16(14)19)17-8-7-13(11-20-17)25(23,24)22-9-2-3-10-22/h4-8,11H,2-3,9-10,12H2,1H3/p+1