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

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (2-chloro-6-fluoro-benzyl)-methyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C18H22ClFN3O2S+ MolecularWeight: 398.902583

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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)N3CCCCC3

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H21ClFN3O2S/c1-22(13-15-16(19)6-5-7-17(15)20)18-9-8-14(12-21-18)26(24,25)23-10-3-2-4-11-23/h5-9,12H,2-4,10-11,13H2,1H3/p+1