(2R)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]-4-methyl-pentanoate

Systemtic Name: (2R)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]-4-methyl-pentanoate Openeye Name: (2R)-2-[[2-[2-(dimethylammonio)ethyl]quinazolin-4-yl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[2-(dimethylammonio)ethyl]-4-quinazolinyl]amino]-4-methylpentanoate IUPAC Name: (2R)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[2-(dimethylammonio)ethyl]quinazolin-4-yl]amino]-4-methyl-valerate Formula: C18H26N4O2 MolecularWeight: 330.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC1=NC(=NC2=CC=CC=C21)CC[NH+](C)C

Isomeric SMILES

CC(C)C[C@H](C(=O)[O-])NC1=NC(=NC2=CC=CC=C21)CC[NH+](C)C

InChI

InChI=1S/C18H26N4O2/c1-12(2)11-15(18(23)24)20-17-13-7-5-6-8-14(13)19-16(21-17)9-10-22(3)4/h5-8,12,15H,9-11H2,1-4H3,(H,23,24)(H,19,20,21)/t15-/m1/s1