2-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-5-nitro-benzonitrile CAS Name: 2-[[2-methyl-2-(4-morpholin-4-iumyl)propyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)amino]-5-nitrobenzonitrile Traditional Name: 2-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-5-nitro-benzonitrile Formula: C15H21N4O3+ MolecularWeight: 305.35224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)[NH+]2CCOCC2

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)[NH+]2CCOCC2

InChI

InChI=1S/C15H20N4O3/c1-15(2,18-5-7-22-8-6-18)11-17-14-4-3-13(19(20)21)9-12(14)10-16/h3-4,9,17H,5-8,11H2,1-2H3/p+1