N-[4-(2-methoxyphenoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-(2-methoxyphenoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(2-methoxyphenoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[4-(2-methoxyphenoxy)phenyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[4-(2-methoxyphenoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(2-methoxyphenoxy)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C25H27N4O5+ MolecularWeight: 463.50568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4OC)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O5/c1-27-13-15-28(16-14-27)21-12-7-18(17-22(21)29(31)32)25(30)26-19-8-10-20(11-9-19)34-24-6-4-3-5-23(24)33-2/h3-12,17H,13-16H2,1-2H3,(H,26,30)/p+1