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

Systemtic Name: 2-[(1S)-1-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[(3S)-3-methyl-1-piperidin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C16H21N3O/c1-11-6-5-9-19(10-11)12(2)15-17-14-8-4-3-7-13(14)16(20)18-15/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,17,18,20)/p+1/t11-,12-/m0/s1