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

Systemtic Name: 1-(4-methoxyphenyl)-4-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazine Openeye Name: 1-(4-methoxyphenyl)-4-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazine CAS Name: 1-(4-methoxyphenyl)-4-[5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]piperazine IUPAC Name: 1-(4-methoxyphenyl)-4-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]piperazine Traditional Name: 1-(4-methoxyphenyl)-4-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazine Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H29N5O3/c1-23-9-11-25(12-10-23)19-5-8-21(27(28)29)22(17-19)26-15-13-24(14-16-26)18-3-6-20(30-2)7-4-18/h3-8,17H,9-16H2,1-2H3/p+1