2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzaldehyde

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzaldehyde Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzaldehyde CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-5-nitrobenzaldehyde IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-nitrobenzaldehyde Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzaldehyde Formula: C12H16N3O3+ MolecularWeight: 250.27374

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C12H15N3O3/c1-13-4-6-14(7-5-13)12-3-2-11(15(17)18)8-10(12)9-16/h2-3,8-9H,4-7H2,1H3/p+1