4-oxidanylidene-N-propan-2-yl-1-(3-pyrimidin-5-ylphenyl)-1,8-naphthyridin-1-ium-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-propan-2-yl-1-(3-pyrimidin-5-ylphenyl)-1,8-naphthyridin-1-ium-1-carboxamide Openeye Name: N-isopropyl-4-oxo-1-(3-pyrimidin-5-ylphenyl)-1,8-naphthyridin-1-ium-1-carboxamide CAS Name: 4-oxo-N-propan-2-yl-1-[3-(5-pyrimidinyl)phenyl]-1,8-naphthyridin-1-ium-1-carboxamide IUPAC Name: 4-oxo-N-propan-2-yl-1-(3-pyrimidin-5-ylphenyl)-1,8-naphthyridin-1-ium-1-carboxamide Traditional Name: N-isopropyl-4-keto-1-[3-(5-pyrimidyl)phenyl]-1,8-naphthyridin-1-ium-1-carboxamide Formula: C22H20N5O2+ MolecularWeight: 386.4265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)[N+]1(C=CC(=O)C2=C1N=CC=C2)C3=CC=CC(=C3)C4=CN=CN=C4

Isomeric SMILES

CC(C)NC(=O)[N+]1(C=CC(=O)C2=C1N=CC=C2)C3=CC=CC(=C3)C4=CN=CN=C4

InChI

InChI=1S/C22H19N5O2/c1-15(2)26-22(29)27(10-8-20(28)19-7-4-9-25-21(19)27)18-6-3-5-16(11-18)17-12-23-14-24-13-17/h3-15H,1-2H3/p+1