N-[3-(2-methylpyrimidin-4-yl)phenyl]-6-morpholin-4-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-6-morpholin-4-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-6-morpholino-pyridin-1-ium-3-carboxamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-6-(4-morpholinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-6-morpholino-pyridin-1-ium-3-carboxamide Formula: C21H22N5O2+ MolecularWeight: 376.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H21N5O2/c1-15-22-8-7-19(24-15)16-3-2-4-18(13-16)25-21(27)17-5-6-20(23-14-17)26-9-11-28-12-10-26/h2-8,13-14H,9-12H2,1H3,(H,25,27)/p+1