2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]phenolate

Systemtic Name: 2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]phenolate Openeye Name: 2-methoxy-5-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]phenolate CAS Name: 2-methoxy-5-[[4-(2-pyridinyl)-1-piperazin-1-iumyl]methyl]phenolate IUPAC Name: 2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]phenolate Traditional Name: 2-methoxy-5-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]phenolate Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=N3)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=N3)[O-]

InChI

InChI=1S/C17H21N3O2/c1-22-16-6-5-14(12-15(16)21)13-19-8-10-20(11-9-19)17-4-2-3-7-18-17/h2-7,12,21H,8-11,13H2,1H3