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

Systemtic Name: 2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[2-[(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)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O/c1-12-5-4-9-19(11-12)10-8-15-17-14-7-3-2-6-13(14)16(20)18-15/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,18,20)/p+1/t12-/m0/s1