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

Systemtic Name: 3-(1H-benzimidazol-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: 3-(1H-benzimidazol-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propanamide CAS Name: 3-(1H-benzimidazol-2-yl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-(1H-benzimidazol-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: 3-(1H-benzimidazol-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propionamide Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H23N5O2/c26-20(8-6-18-23-16-3-1-2-4-17(16)24-18)22-14-15-5-7-19(21-13-15)25-9-11-27-12-10-25/h1-5,7,13H,6,8-12,14H2,(H,22,26)(H,23,24)/p+1