6-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]hexanoate

Systemtic Name: 6-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]hexanoate Openeye Name: 6-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]hexanoate CAS Name: 6-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]hexanoate IUPAC Name: 6-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]hexanoate Traditional Name: 6-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]hexanoate Formula: C17H24N4O2 MolecularWeight: 316.39806

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NCCCCCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NCCCCCC(=O)[O-]

InChI

InChI=1S/C17H24N4O2/c1-21(2)12-15-19-14-9-6-5-8-13(14)17(20-15)18-11-7-3-4-10-16(22)23/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,22,23)(H,18,19,20)