3-(2-hydroxyphenyl)-N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylideneamino]propanamide

Systemtic Name: 3-(2-hydroxyphenyl)-N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylideneamino]propanamide Openeye Name: 3-(2-hydroxyphenyl)-N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methyleneamino]propanamide CAS Name: 3-(2-hydroxyphenyl)-N-[(Z)-[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]methylideneamino]propanamide IUPAC Name: 3-(2-hydroxyphenyl)-N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]methylideneamino]propanamide Traditional Name: 3-(2-hydroxyphenyl)-N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzylidene]amino]propionamide Formula: C21H26N5O4+ MolecularWeight: 412.46224

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)CCC3=CC=CC=C3O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N\NC(=O)CCC3=CC=CC=C3O

InChI

InChI=1S/C21H25N5O4/c1-24-10-12-25(13-11-24)19-8-7-18(26(29)30)14-17(19)15-22-23-21(28)9-6-16-4-2-3-5-20(16)27/h2-5,7-8,14-15,27H,6,9-13H2,1H3,(H,23,28)/p+1/b22-15-