3-(4-methylpiperazin-4-ium-1-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]propanamide CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]propionamide Formula: C16H22N5O5+ MolecularWeight: 364.37638

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C[NH+]1CCN(CC1)CCC(=O)N/N=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H21N5O5/c1-19-4-6-20(7-5-19)3-2-16(22)18-17-10-12-8-14-15(26-11-25-14)9-13(12)21(23)24/h8-10H,2-7,11H2,1H3,(H,18,22)/p+1/b17-10-