N-[2-(4-bromanylphenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(4-bromanylphenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 2-(4-bromophenoxy)ethyl-methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amine Formula: C18H23BrN3O4S+ MolecularWeight: 457.36192

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Br)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Br)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H22BrN3O4S/c1-21(8-13-26-16-4-2-15(19)3-5-16)18-7-6-17(14-20-18)27(23,24)22-9-11-25-12-10-22/h2-7,14H,8-13H2,1H3/p+1