2-(4-methoxyphenyl)-3-[3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-2-yl]quinazolin-4-one

Systemtic Name: 2-(4-methoxyphenyl)-3-[3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-2-yl]quinazolin-4-one Openeye Name: 2-(4-methoxyphenyl)-3-[3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2-pyridyl]quinazolin-4-one CAS Name: 2-(4-methoxyphenyl)-3-[3-[(2S)-1-methyl-2-pyrrolidin-1-iumyl]-2-pyridinyl]-4-quinazolinone IUPAC Name: 2-(4-methoxyphenyl)-3-[3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-2-yl]quinazolin-4-one Traditional Name: 2-(4-methoxyphenyl)-3-[3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2-pyridyl]quinazolin-4-one Formula: C25H25N4O2+ MolecularWeight: 413.4916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1C2=C(N=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC

Isomeric SMILES

C[NH+]1CCC[C@H]1C2=C(N=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H24N4O2/c1-28-16-6-10-22(28)20-8-5-15-26-24(20)29-23(17-11-13-18(31-2)14-12-17)27-21-9-4-3-7-19(21)25(29)30/h3-5,7-9,11-15,22H,6,10,16H2,1-2H3/p+1/t22-/m0/s1