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

Systemtic Name: 2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCC2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCC2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C17H23N3O/c1-12-9-13(2)11-20(10-12)8-7-16-18-15-6-4-3-5-14(15)17(21)19-16/h3-6,12-13H,7-11H2,1-2H3,(H,18,19,21)/p+1/t12-,13-/m0/s1