2-[[(1S)-1-(6-chloranyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)ethyl]azaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(1S)-1-(6-chloranyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)ethyl]azaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[(1S)-1-(6-chloro-3-ethyl-4-oxo-quinazolin-2-yl)ethyl]ammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[(1S)-1-(6-chloro-3-ethyl-4-oxo-2-quinazolinyl)ethyl]ammonio]ethyl-dimethylammonium IUPAC Name: 2-[[(1S)-1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[(1S)-1-(6-chloro-3-ethyl-4-keto-quinazolin-2-yl)ethyl]ammonio]ethyl-dimethyl-ammonium Formula: C16H25ClN4O+2 MolecularWeight: 324.8489

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1C(C)[NH2+]CC[NH+](C)C

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1[C@H](C)[NH2+]CC[NH+](C)C

InChI

InChI=1S/C16H23ClN4O/c1-5-21-15(11(2)18-8-9-20(3)4)19-14-7-6-12(17)10-13(14)16(21)22/h6-7,10-11,18H,5,8-9H2,1-4H3/p+2/t11-/m0/s1