N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-benzamide

Systemtic Name: N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-benzamide Openeye Name: N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-benzamide CAS Name: N-(2-ethoxyphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)-5-nitrobenzamide IUPAC Name: N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitrobenzamide Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-N-o-phenetyl-benzamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3OCC

InChI

InChI=1S/C21H26N4O4/c1-3-23-11-13-24(14-12-23)19-10-9-16(25(27)28)15-17(19)21(26)22-18-7-5-6-8-20(18)29-4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,26)/p+1