N-(4-methoxyphenyl)-5-nitro-2-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-(4-methoxyphenyl)-5-nitro-2-piperazin-4-ium-1-yl-benzamide Openeye Name: N-(4-methoxyphenyl)-5-nitro-2-piperazin-4-ium-1-yl-benzamide CAS Name: N-(4-methoxyphenyl)-5-nitro-2-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-(4-methoxyphenyl)-5-nitro-2-piperazin-4-ium-1-ylbenzamide Traditional Name: N-(4-methoxyphenyl)-5-nitro-2-piperazin-4-ium-1-yl-benzamide Formula: C18H21N4O4+ MolecularWeight: 357.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH2+]CC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH2+]CC3

InChI

InChI=1S/C18H20N4O4/c1-26-15-5-2-13(3-6-15)20-18(23)16-12-14(22(24)25)4-7-17(16)21-10-8-19-9-11-21/h2-7,12,19H,8-11H2,1H3,(H,20,23)/p+1