7-chloranyl-2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C18H19ClN4O MolecularWeight: 342.82266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCC[NH+]2CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

Isomeric SMILES

CN1C=CC=C1[C@H]2CCC[NH+]2CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

InChI

InChI=1S/C18H19ClN4O/c1-22-8-2-4-15(22)16-5-3-9-23(16)11-17-20-14-10-12(19)6-7-13(14)18(24)21-17/h2,4,6-8,10,16H,3,5,9,11H2,1H3,(H,20,21,24)/t16-/m1/s1