4-(5-bromanylthiophen-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]butanamide

Systemtic Name: 4-(5-bromanylthiophen-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]butanamide Openeye Name: 4-(5-bromo-2-thienyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]butanamide CAS Name: 4-(5-bromo-2-thiophenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]butanamide IUPAC Name: 4-(5-bromothiophen-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]butanamide Traditional Name: 4-(5-bromo-2-thienyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]butyramide Formula: C18H23BrN3O2S+ MolecularWeight: 425.36312

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCCC3=CC=C(S3)Br

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCCC3=CC=C(S3)Br

InChI

InChI=1S/C18H22BrN3O2S/c19-16-6-5-15(25-16)2-1-3-18(23)21-13-14-4-7-17(20-12-14)22-8-10-24-11-9-22/h4-7,12H,1-3,8-11,13H2,(H,21,23)/p+1