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

Systemtic Name: N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[[5-(4-bromophenyl)-2-furyl]methyl]-N-methyl-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-[[5-(4-bromophenyl)-2-furanyl]methyl]-N-methyl-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [5-(4-bromophenyl)-2-furyl]methyl-methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amine Formula: C21H23BrN3O4S+ MolecularWeight: 493.39402

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(O1)C2=CC=C(C=C2)Br)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN(CC1=CC=C(O1)C2=CC=C(C=C2)Br)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22BrN3O4S/c1-24(15-18-6-8-20(29-18)16-2-4-17(22)5-3-16)21-9-7-19(14-23-21)30(26,27)25-10-12-28-13-11-25/h2-9,14H,10-13,15H2,1H3/p+1