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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propionamide Formula: C21H24N5O3+ MolecularWeight: 394.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H23N5O3/c27-20(8-6-18-24-17-4-2-1-3-16(17)21(28)25-18)23-14-15-5-7-19(22-13-15)26-9-11-29-12-10-26/h1-5,7,13H,6,8-12,14H2,(H,23,27)(H,24,25,28)/p+1