(4-methoxyphenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone

Systemtic Name: (4-methoxyphenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone Openeye Name: (4-methoxyphenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone CAS Name: (4-methoxyphenyl)-[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]methanone IUPAC Name: (4-methoxyphenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]methanone Traditional Name: (4-methoxyphenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c1-20-9-11-21(12-10-20)18-8-5-15(22(24)25)13-17(18)19(23)14-3-6-16(26-2)7-4-14/h3-8,13H,9-12H2,1-2H3/p+1