2-[2-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]methyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[4-[2-(4-methylphenyl)ethyl]-1-piperidin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]methyl]quinazolin-3-yl]acetonitrile Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C25H28N4O/c1-19-6-8-20(9-7-19)10-11-21-12-15-28(16-13-21)18-24-27-23-5-3-2-4-22(23)25(30)29(24)17-14-26/h2-9,21H,10-13,15-18H2,1H3/p+1