3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide

Systemtic Name: 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propanamide CAS Name: 3-(2-imidazo[1,2-a]pyridinylmethylthio)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: 3-(imidazo[1,2-a]pyridin-2-ylmethylthio)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propionamide Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCSCC3=CN4C=CC=CC4=N3

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCSCC3=CN4C=CC=CC4=N3

InChI

InChI=1S/C21H25N5O2S/c27-21(6-12-29-16-18-15-26-7-2-1-3-20(26)24-18)23-14-17-4-5-19(22-13-17)25-8-10-28-11-9-25/h1-5,7,13,15H,6,8-12,14,16H2,(H,23,27)/p+1