[1-[1-(4-bromophenyl)ethyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-[1-(4-bromophenyl)ethyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[1-(4-bromophenyl)ethyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[1-(4-bromophenyl)ethyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[1-(4-bromophenyl)ethyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[1-(4-bromophenyl)ethyl]-1-esyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C16H22BrN2O2S+ MolecularWeight: 386.32708

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C(C)C2=CC=C(C=C2)Br

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C(C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H22BrN2O2S/c1-3-22(20,21)19(10-4-5-14(11-18)12-19)13(2)15-6-8-16(17)9-7-15/h4-9,12-13H,3,10-11,18H2,1-2H3/q+1