6-[2-(4-bromanylphenoxy)ethyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[2-(4-bromanylphenoxy)ethyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[2-(4-bromophenoxy)ethyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[2-(4-bromophenoxy)ethyl-methylamino]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[2-(4-bromophenoxy)ethyl-methylamino]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[2-(4-bromophenoxy)ethyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C18H25BrN3O3S+ MolecularWeight: 443.3784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(C)CCOC2=CC=C(C=C2)Br

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(C)CCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H24BrN3O3S/c1-4-22(5-2)26(23,24)17-10-11-18(20-14-17)21(3)12-13-25-16-8-6-15(19)7-9-16/h6-11,14H,4-5,12-13H2,1-3H3/p+1