N-(3-methoxyphenyl)-3-nitro-4-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-(3-methoxyphenyl)-3-nitro-4-piperazin-4-ium-1-yl-benzamide Openeye Name: N-(3-methoxyphenyl)-3-nitro-4-piperazin-4-ium-1-yl-benzamide CAS Name: N-(3-methoxyphenyl)-3-nitro-4-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-(3-methoxyphenyl)-3-nitro-4-piperazin-4-ium-1-ylbenzamide Traditional Name: N-(3-methoxyphenyl)-3-nitro-4-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=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH2+]CC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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