[4,5-bis(chloranyl)-2-[(6-nitroquinazolin-4-yl)amino]phenyl]-trimethyl-azanium

Systemtic Name: [4,5-bis(chloranyl)-2-[(6-nitroquinazolin-4-yl)amino]phenyl]-trimethyl-azanium Openeye Name: [4,5-dichloro-2-[(6-nitroquinazolin-4-yl)amino]phenyl]-trimethyl-ammonium CAS Name: [4,5-dichloro-2-[(6-nitro-4-quinazolinyl)amino]phenyl]-trimethylammonium IUPAC Name: [4,5-dichloro-2-[(6-nitroquinazolin-4-yl)amino]phenyl]-trimethylazanium Traditional Name: [4,5-dichloro-2-[(6-nitroquinazolin-4-yl)amino]phenyl]-trimethyl-ammonium Formula: C17H16Cl2N5O2+ MolecularWeight: 393.24724

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC(=C(C=C1NC2=NC=NC3=C2C=C(C=C3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C[N+](C)(C)C1=CC(=C(C=C1NC2=NC=NC3=C2C=C(C=C3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C17H16Cl2N5O2/c1-24(2,3)16-8-13(19)12(18)7-15(16)22-17-11-6-10(23(25)26)4-5-14(11)20-9-21-17/h4-9H,1-3H3,(H,20,21,22)/q+1