4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-nitrobenzamide IUPAC Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitrobenzamide Traditional Name: 3-nitro-4-(4-veratrylpiperazin-4-ium-1-yl)benzamide Formula: C20H25N4O5+ MolecularWeight: 401.4363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C20H24N4O5/c1-28-18-6-3-14(11-19(18)29-2)13-22-7-9-23(10-8-22)16-5-4-15(20(21)25)12-17(16)24(26)27/h3-6,11-12H,7-10,13H2,1-2H3,(H2,21,25)/p+1