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

Systemtic Name: N-[(Z)-(4,5-dimethoxy-2-nitro-phenyl)methylideneamino]-3-(4-methylpiperazin-4-ium-1-yl)propanamide Openeye Name: N-[(Z)-(4,5-dimethoxy-2-nitro-phenyl)methyleneamino]-3-(4-methylpiperazin-4-ium-1-yl)propanamide CAS Name: N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-(4-methyl-1-piperazin-4-iumyl)propanamide IUPAC Name: N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-(4-methylpiperazin-4-ium-1-yl)propanamide Traditional Name: N-[(Z)-(4,5-dimethoxy-2-nitro-benzylidene)amino]-3-(4-methylpiperazin-4-ium-1-yl)propionamide Formula: C17H26N5O5+ MolecularWeight: 380.41884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC(=O)NN=CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O5/c1-20-6-8-21(9-7-20)5-4-17(23)19-18-12-13-10-15(26-2)16(27-3)11-14(13)22(24)25/h10-12H,4-9H2,1-3H3,(H,19,23)/p+1/b18-12-