2-[4-(3,5-dimethylpiperidin-1-ium-1-yl)quinazolin-2-yl]phenolate

Systemtic Name: 2-[4-(3,5-dimethylpiperidin-1-ium-1-yl)quinazolin-2-yl]phenolate Openeye Name: 2-[4-(3,5-dimethylpiperidin-1-ium-1-yl)quinazolin-2-yl]phenolate CAS Name: 2-[4-(3,5-dimethyl-1-piperidin-1-iumyl)-2-quinazolinyl]phenolate IUPAC Name: 2-[4-(3,5-dimethylpiperidin-1-ium-1-yl)quinazolin-2-yl]phenolate Traditional Name: 2-[4-(3,5-dimethylpiperidin-1-ium-1-yl)quinazolin-2-yl]phenolate Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4[O-])C

Isomeric SMILES

CC1CC(C[NH+](C1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4[O-])C

InChI

InChI=1S/C21H23N3O/c1-14-11-15(2)13-24(12-14)21-16-7-3-5-9-18(16)22-20(23-21)17-8-4-6-10-19(17)25/h3-10,14-15,25H,11-13H2,1-2H3