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

Systemtic Name: 2-[[(1R)-1-[7-chloranyl-3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]azaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[(1R)-1-[7-chloro-3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]ammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[(1R)-1-[7-chloro-3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]ethyl]ammonio]ethyl-dimethylammonium IUPAC Name: 2-[[(1R)-1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]azaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[(1R)-1-[7-chloro-4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]ethyl]ammonio]ethyl-dimethyl-ammonium Formula: C21H27ClN4O2+2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O2/c1-14(23-11-12-25(2)3)20-24-19-13-15(22)5-10-18(19)21(27)26(20)16-6-8-17(28-4)9-7-16/h5-10,13-14,23H,11-12H2,1-4H3/p+2/t14-/m1/s1