[(1R)-1-(7-chloranyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)propyl]-phenethyl-azanium

Systemtic Name: [(1R)-1-(7-chloranyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)propyl]-phenethyl-azanium Openeye Name: [(1R)-1-(7-chloro-3-ethyl-4-oxo-quinazolin-2-yl)propyl]-phenethyl-ammonium CAS Name: [(1R)-1-(7-chloro-3-ethyl-4-oxo-2-quinazolinyl)propyl]-phenethylammonium IUPAC Name: [(1R)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-phenethylazanium Traditional Name: [(1R)-1-(7-chloro-3-ethyl-4-keto-quinazolin-2-yl)propyl]-phenethyl-ammonium Formula: C21H25ClN3O+ MolecularWeight: 370.8957

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC)[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC)[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O/c1-3-18(23-13-12-15-8-6-5-7-9-15)20-24-19-14-16(22)10-11-17(19)21(26)25(20)4-2/h5-11,14,18,23H,3-4,12-13H2,1-2H3/p+1/t18-/m1/s1