3-(1,3-benzothiazol-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propionamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4O2S/c25-19(7-8-20-23-16-3-1-2-4-17(16)27-20)22-14-15-5-6-18(21-13-15)24-9-11-26-12-10-24/h1-6,13H,7-12,14H2,(H,22,25)/p+1