3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-nitro-phenolate

Systemtic Name: 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-nitro-phenolate Openeye Name: 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-nitro-phenolate CAS Name: 3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4-nitrophenolate IUPAC Name: 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-nitrophenolate Traditional Name: 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-nitro-phenolate Formula: C12H18N3O3+ MolecularWeight: 252.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3/c1-13-4-6-14(7-5-13)9-10-8-11(16)2-3-12(10)15(17)18/h2-3,8,16H,4-7,9H2,1H3/p+1