7-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[[2-methyl-2-(1-piperidin-1-iumyl)propyl]amino]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[(2-methyl-2-piperidin-1-ium-1-ylpropyl)amino]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-6-nitro-1H-quinazolin-4-one Formula: C17H24N5O3+ MolecularWeight: 346.40416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C2C(=C1)NC=NC2=O)[N+](=O)[O-])[NH+]3CCCCC3

Isomeric SMILES

CC(C)(CNC1=C(C=C2C(=C1)NC=NC2=O)[N+](=O)[O-])[NH+]3CCCCC3

InChI

InChI=1S/C17H23N5O3/c1-17(2,21-6-4-3-5-7-21)10-18-14-9-13-12(8-15(14)22(24)25)16(23)20-11-19-13/h8-9,11,18H,3-7,10H2,1-2H3,(H,19,20,23)/p+1