2-(5-methyl-2-nitro-phenoxy)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(5-methyl-2-nitro-phenoxy)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(5-methyl-2-nitro-phenoxy)acetamide CAS Name: 2-(5-methyl-2-nitrophenoxy)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(5-methyl-2-nitrophenoxy)acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(5-methyl-2-nitro-phenoxy)acetamide Formula: C26H29N4O4+ MolecularWeight: 461.53286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4/c1-20-7-12-24(30(32)33)25(17-20)34-19-26(31)27-22-8-10-23(11-9-22)29-15-13-28(14-16-29)18-21-5-3-2-4-6-21/h2-12,17H,13-16,18-19H2,1H3,(H,27,31)/p+1