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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC#N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC#N)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O/c23-10-11-27-21(24-20-9-5-4-8-19(20)22(27)28)17-26-14-12-25(13-15-26)16-18-6-2-1-3-7-18/h1-9H,11-17H2/p+1