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

Systemtic Name: butyl-[(1R)-1-[7-chloranyl-3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]azanium Openeye Name: butyl-[(1R)-1-[7-chloro-3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]ammonium CAS Name: butyl-[(1R)-1-[7-chloro-3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]ethyl]ammonium IUPAC Name: butyl-[(1R)-1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium Traditional Name: butyl-[(1R)-1-[7-chloro-4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]ethyl]ammonium Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(C)C1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=C(C=C3)OC

Isomeric SMILES

CCCC[NH2+][C@H](C)C1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24ClN3O2/c1-4-5-12-23-14(2)20-24-19-13-15(22)6-11-18(19)21(26)25(20)16-7-9-17(27-3)10-8-16/h6-11,13-14,23H,4-5,12H2,1-3H3/p+1/t14-/m1/s1