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

Systemtic Name: 6-[butanoyl-[(1R)-1-(7-chloranyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)ethyl]amino]hexylazanium Openeye Name: 6-[butanoyl-[(1R)-1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]amino]hexylammonium CAS Name: 6-[[(1R)-1-(7-chloro-3-methyl-4-oxo-2-quinazolinyl)ethyl]-(1-oxobutyl)amino]hexylammonium IUPAC Name: 6-[butanoyl-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]amino]hexylazanium Traditional Name: 6-[butyryl-[(1R)-1-(7-chloro-4-keto-3-methyl-quinazolin-2-yl)ethyl]amino]hexylammonium Formula: C21H32ClN4O2+ MolecularWeight: 407.95738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN4O2/c1-4-9-19(27)26(13-8-6-5-7-12-23)15(2)20-24-18-14-16(22)10-11-17(18)21(28)25(20)3/h10-11,14-15H,4-9,12-13,23H2,1-3H3/p+1/t15-/m1/s1