4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzaldehyde

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzaldehyde Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzaldehyde CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzaldehyde IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzaldehyde Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-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)C=O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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