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

Systemtic Name: 2-methoxy-4-nitro-6-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenolate Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-methoxy-4-nitro-6-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]phenolate IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-methoxy-4-nitro-phenolate Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C[NH+]2CCN(CC2)CC3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C[NH+]2CCN(CC2)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H23N3O4/c1-26-18-12-17(22(24)25)11-16(19(18)23)14-21-9-7-20(8-10-21)13-15-5-3-2-4-6-15/h2-6,11-12,23H,7-10,13-14H2,1H3