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

Systemtic Name: N-[4-(4-ethoxyphenoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(4-ethoxyphenoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[4-(4-ethoxyphenoxy)phenyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[4-(4-ethoxyphenoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(4-ethoxyphenoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C26H29N4O5+ MolecularWeight: 477.53226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C26H28N4O5/c1-3-34-21-9-11-23(12-10-21)35-22-7-5-20(6-8-22)27-26(31)19-4-13-24(25(18-19)30(32)33)29-16-14-28(2)15-17-29/h4-13,18H,3,14-17H2,1-2H3,(H,27,31)/p+1