diethyl-[3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]propyl]azanium

Systemtic Name: diethyl-[3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]propyl]azanium Openeye Name: diethyl-[3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]propyl]ammonium CAS Name: diethyl-[3-[[2-(4-nitrophenyl)-4-quinazolinyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]propyl]azanium Traditional Name: diethyl-[3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]propyl]ammonium Formula: C21H26N5O2+ MolecularWeight: 380.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCNC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O2/c1-3-25(4-2)15-7-14-22-21-18-8-5-6-9-19(18)23-20(24-21)16-10-12-17(13-11-16)26(27)28/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,22,23,24)/p+1