3-(4-methylpiperazine-1,4-diium-1-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide

Systemtic Name: 3-(4-methylpiperazine-1,4-diium-1-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide Openeye Name: 3-(4-methylpiperazine-1,4-diium-1-yl)-N-[(Z)-(4-nitrophenyl)methyleneamino]propanamide CAS Name: 3-(4-methyl-1-piperazine-1,4-diiumyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide IUPAC Name: 3-(4-methylpiperazine-1,4-diium-1-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide Traditional Name: 3-(4-methylpiperazine-1,4-diium-1-yl)-N-[(Z)-(4-nitrobenzylidene)amino]propionamide Formula: C15H23N5O3+2 MolecularWeight: 321.37482

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O3/c1-18-8-10-19(11-9-18)7-6-15(21)17-16-12-13-2-4-14(5-3-13)20(22)23/h2-5,12H,6-11H2,1H3,(H,17,21)/p+2/b16-12-