2-[4-(3-methylpiperidin-1-ium-1-yl)quinazolin-2-yl]phenolate

Systemtic Name: 2-[4-(3-methylpiperidin-1-ium-1-yl)quinazolin-2-yl]phenolate Openeye Name: 2-[4-(3-methylpiperidin-1-ium-1-yl)quinazolin-2-yl]phenolate CAS Name: 2-[4-(3-methyl-1-piperidin-1-iumyl)-2-quinazolinyl]phenolate IUPAC Name: 2-[4-(3-methylpiperidin-1-ium-1-yl)quinazolin-2-yl]phenolate Traditional Name: 2-[4-(3-methylpiperidin-1-ium-1-yl)quinazolin-2-yl]phenolate Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4[O-]

Isomeric SMILES

CC1CCC[NH+](C1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4[O-]

InChI

InChI=1S/C20H21N3O/c1-14-7-6-12-23(13-14)20-15-8-2-4-10-17(15)21-19(22-20)16-9-3-5-11-18(16)24/h2-5,8-11,14,24H,6-7,12-13H2,1H3