2-[2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC#N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O/c1-13-9-14(2)11-21(10-13)12-17-20-16-6-4-3-5-15(16)18(23)22(17)8-7-19/h3-6,13-14H,8-12H2,1-2H3/p+1/t13-,14-/m1/s1