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

Systemtic Name: N-[(Z)-(4,5-dimethoxy-2-nitro-phenyl)methylideneamino]-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide Openeye Name: N-[(Z)-(4,5-dimethoxy-2-nitro-phenyl)methyleneamino]-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide CAS Name: N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-(4-methyl-1-piperazine-1,4-diiumyl)propanamide IUPAC Name: N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide Traditional Name: N-[(Z)-(4,5-dimethoxy-2-nitro-benzylidene)amino]-3-(4-methylpiperazine-1,4-diium-1-yl)propionamide Formula: C17H27N5O5+2 MolecularWeight: 381.42678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CC[NH+](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+2/b18-12-