N-[4-(4-methylphenoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-(4-methylphenoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(4-methylphenoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[4-(4-methylphenoxy)phenyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[4-(4-methylphenoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(4-methylphenoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C25H27N4O4+ MolecularWeight: 447.50628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CC[NH+](CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CC[NH+](CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O4/c1-18-3-8-21(9-4-18)33-22-10-6-20(7-11-22)26-25(30)19-5-12-23(24(17-19)29(31)32)28-15-13-27(2)14-16-28/h3-12,17H,13-16H2,1-2H3,(H,26,30)/p+1