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

Systemtic Name: 2-[2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-yl]acetonitrile Formula: C22H24N5O+ MolecularWeight: 374.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C22H23N5O/c1-17-5-4-6-18(15-17)26-13-11-25(12-14-26)16-21-24-20-8-3-2-7-19(20)22(28)27(21)10-9-23/h2-8,15H,10-14,16H2,1H3/p+1