ethyl-[(4-nitrophenyl)methyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: ethyl-[(4-nitrophenyl)methyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: ethyl-[(4-nitrophenyl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: ethyl-[(4-nitrophenyl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: ethyl-[(4-nitrophenyl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]-(4-nitrobenzyl)ammonium Formula: C18H19N4O3+ MolecularWeight: 339.36846

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H18N4O3/c1-2-21(11-13-7-9-14(10-8-13)22(24)25)12-17-19-16-6-4-3-5-15(16)18(23)20-17/h3-10H,2,11-12H2,1H3,(H,19,20,23)/p+1