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

Systemtic Name: 2-methyl-3-[3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-2-yl]quinazolin-4-one Openeye Name: 2-methyl-3-[3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2-pyridyl]quinazolin-4-one CAS Name: 2-methyl-3-[3-[(2S)-1-methyl-2-pyrrolidin-1-iumyl]-2-pyridinyl]-4-quinazolinone IUPAC Name: 2-methyl-3-[3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-2-yl]quinazolin-4-one Traditional Name: 2-methyl-3-[3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2-pyridyl]quinazolin-4-one Formula: C19H21N4O+ MolecularWeight: 321.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC=N3)C4CCC[NH+]4C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC=N3)[C@@H]4CCC[NH+]4C

InChI

InChI=1S/C19H20N4O/c1-13-21-16-9-4-3-7-14(16)19(24)23(13)18-15(8-5-11-20-18)17-10-6-12-22(17)2/h3-5,7-9,11,17H,6,10,12H2,1-2H3/p+1/t17-/m0/s1