N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[[5-(4-bromophenyl)-2-furyl]methyl]-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-[[5-(4-bromophenyl)-2-furanyl]methyl]-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [5-(4-bromophenyl)-2-furyl]methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amine Formula: C20H21BrN3O4S+ MolecularWeight: 479.36744

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O4S/c21-16-3-1-15(2-4-16)19-7-5-17(28-19)13-22-20-8-6-18(14-23-20)29(25,26)24-9-11-27-12-10-24/h1-8,14H,9-13H2,(H,22,23)/p+1