6-[[(1R)-1-(7-chloranyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)ethyl]-(3-methylbutanoyl)amino]hexylazanium

Systemtic Name: 6-[[(1R)-1-(7-chloranyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)ethyl]-(3-methylbutanoyl)amino]hexylazanium Openeye Name: 6-[[(1R)-1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]-(3-methylbutanoyl)amino]hexylammonium CAS Name: 6-[[(1R)-1-(7-chloro-3-methyl-4-oxo-2-quinazolinyl)ethyl]-(3-methyl-1-oxobutyl)amino]hexylammonium IUPAC Name: 6-[[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-(3-methylbutanoyl)amino]hexylazanium Traditional Name: 6-[[(1R)-1-(7-chloro-4-keto-3-methyl-quinazolin-2-yl)ethyl]-isovaleryl-amino]hexylammonium Formula: C22H34ClN4O2+ MolecularWeight: 421.98396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CCCCCC[NH3+])C(C)C1=NC2=C(C=CC(=C2)Cl)C(=O)N1C

Isomeric SMILES

C[C@H](C1=NC2=C(C=CC(=C2)Cl)C(=O)N1C)N(CCCCCC[NH3+])C(=O)CC(C)C

InChI

InChI=1S/C22H33ClN4O2/c1-15(2)13-20(28)27(12-8-6-5-7-11-24)16(3)21-25-19-14-17(23)9-10-18(19)22(29)26(21)4/h9-10,14-16H,5-8,11-13,24H2,1-4H3/p+1/t16-/m1/s1