2-[2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]quinazolin-3-yl]acetonitrile Formula: C17H21N4O+ MolecularWeight: 297.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C17H20N4O/c1-13-5-4-9-20(11-13)12-16-19-15-7-3-2-6-14(15)17(22)21(16)10-8-18/h2-3,6-7,13H,4-5,9-12H2,1H3/p+1/t13-/m0/s1