2-(4-methylphenoxy)-N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylideneamino]ethanamide

Systemtic Name: 2-(4-methylphenoxy)-N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylideneamino]ethanamide Openeye Name: 2-(4-methylphenoxy)-N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methyleneamino]acetamide CAS Name: 2-(4-methylphenoxy)-N-[(Z)-[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]methylideneamino]acetamide IUPAC Name: 2-(4-methylphenoxy)-N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]methylideneamino]acetamide Traditional Name: 2-(4-methylphenoxy)-N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzylidene]amino]acetamide Formula: C21H26N5O4+ MolecularWeight: 412.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N/N=C\C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH+](CC3)C

InChI

InChI=1S/C21H25N5O4/c1-16-3-6-19(7-4-16)30-15-21(27)23-22-14-17-13-18(26(28)29)5-8-20(17)25-11-9-24(2)10-12-25/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,27)/p+1/b22-14-