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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H21N3O/c1-18-10-5-4-6-13(18)9-11-19-12-17-15-8-3-2-7-14(15)16(19)20/h2-3,7-8,12-13H,4-6,9-11H2,1H3/p+1/t13-/m0/s1