N-(2-methyl-4-nitro-phenyl)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]propanamide Openeye Name: 3-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazin-4-iumyl]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]propanamide Traditional Name: 3-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C19H26N5O4+ MolecularWeight: 388.44084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2CC[NH+](CC2)CC3=CC(=NO3)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2CC[NH+](CC2)CC3=CC(=NO3)C

InChI

InChI=1S/C19H25N5O4/c1-14-11-16(24(26)27)3-4-18(14)20-19(25)5-6-22-7-9-23(10-8-22)13-17-12-15(2)21-28-17/h3-4,11-12H,5-10,13H2,1-2H3,(H,20,25)/p+1