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

Systemtic Name: 2-[2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C21H22N5O2+ MolecularWeight: 376.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H21N5O2/c22-9-10-26-20(23-19-4-2-1-3-18(19)21(26)28)15-24-11-13-25(14-12-24)16-5-7-17(27)8-6-16/h1-8,27H,10-15H2/p+1