2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C16H21N3O/c1-11-7-12(2)9-19(8-11)10-15-17-14-6-4-3-5-13(14)16(20)18-15/h3-6,11-12H,7-10H2,1-2H3,(H,17,18,20)/p+1/t11-,12-/m1/s1