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

Systemtic Name: N-(3-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-(3-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-(3-methoxyphenyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-(3-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(3-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C19H23N4O4+ MolecularWeight: 371.41032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4/c1-21-8-10-22(11-9-21)17-7-6-14(12-18(17)23(25)26)19(24)20-15-4-3-5-16(13-15)27-2/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)/p+1