2-methoxy-4-nitro-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenolate

Systemtic Name: 2-methoxy-4-nitro-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenolate Openeye Name: 2-methoxy-4-nitro-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenolate CAS Name: 2-methoxy-4-nitro-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenolate IUPAC Name: 2-methoxy-4-nitro-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenolate Traditional Name: 2-methoxy-4-nitro-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenolate Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C[NH+]2CCN(CC2)C3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C[NH+]2CCN(CC2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H21N3O4/c1-25-17-12-16(21(23)24)11-14(18(17)22)13-19-7-9-20(10-8-19)15-5-3-2-4-6-15/h2-6,11-12,22H,7-10,13H2,1H3