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

Systemtic Name: (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-methylisoxazol-5-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-methyl-5-isoxazolyl)-2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-methylisoxazol-5-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C17H22N5O4+ MolecularWeight: 360.38768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4/c1-12-11-16(26-19-12)18-17(23)13(2)20-7-9-21(10-8-20)14-5-3-4-6-15(14)22(24)25/h3-6,11,13H,7-10H2,1-2H3,(H,18,23)/p+1/t13-/m0/s1