N-[4-[(2S)-4-oxidanylidene-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-10-ium-2-yl]phenyl]ethanamide

Systemtic Name: N-[4-[(2S)-4-oxidanylidene-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-10-ium-2-yl]phenyl]ethanamide Openeye Name: N-[4-[(2S)-4-oxo-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-10-ium-2-yl]phenyl]acetamide CAS Name: N-[4-[(2S)-4-oxo-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-10-ium-2-yl]phenyl]acetamide IUPAC Name: N-[4-[(2S)-4-oxo-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-10-ium-2-yl]phenyl]acetamide Traditional Name: N-[4-[(2S)-4-keto-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-10-ium-2-yl]phenyl]acetamide Formula: C25H21N4O2+ MolecularWeight: 409.45984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2NC3=[NH+]C4=CC=CC=C4C=C3C(=O)N2C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)[C@H]2NC3=[NH+]C4=CC=CC=C4C=C3C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O2/c1-16(30)26-19-13-11-17(12-14-19)24-28-23-21(15-18-7-5-6-10-22(18)27-23)25(31)29(24)20-8-3-2-4-9-20/h2-15,24H,1H3,(H,26,30)(H,27,28)/p+1/t24-/m0/s1