2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C18H21N4O+ MolecularWeight: 309.38554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCC[NH+]2CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CN1C=CC=C1[C@H]2CCC[NH+]2CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H20N4O/c1-21-10-4-8-15(21)16-9-5-11-22(16)12-17-19-14-7-3-2-6-13(14)18(23)20-17/h2-4,6-8,10,16H,5,9,11-12H2,1H3,(H,19,20,23)/p+1/t16-/m1/s1