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

Systemtic Name: 3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: 3-(3-ethyl-2-oxo-benzimidazol-1-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propanamide CAS Name: 3-(3-ethyl-2-oxo-1-benzimidazolyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: 3-(3-ethyl-2-keto-benzimidazol-1-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propionamide Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H27N5O3/c1-2-26-18-5-3-4-6-19(18)27(22(26)29)10-9-21(28)24-16-17-7-8-20(23-15-17)25-11-13-30-14-12-25/h3-8,15H,2,9-14,16H2,1H3,(H,24,28)/p+1