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

Systemtic Name: 2-[2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[(4-methylpiperazin-4-ium-1-yl)methyl]quinazolin-3-yl]acetonitrile Formula: C16H20N5O+ MolecularWeight: 298.3629

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C16H19N5O/c1-19-8-10-20(11-9-19)12-15-18-14-5-3-2-4-13(14)16(22)21(15)7-6-17/h2-5H,7-12H2,1H3/p+1