3-methoxycarbonyl-1-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-olate

Systemtic Name: 3-methoxycarbonyl-1-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-olate Openeye Name: 3-methoxycarbonyl-1-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-olate CAS Name: 3-methoxycarbonyl-1-[[4-(2-pyridinyl)-1-piperazin-1-iumyl]methyl]-2-naphthalenolate IUPAC Name: 3-methoxycarbonyl-1-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-olate Traditional Name: 3-carbomethoxy-1-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-olate Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1[O-])C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1[O-])C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H23N3O3/c1-28-22(27)18-14-16-6-2-3-7-17(16)19(21(18)26)15-24-10-12-25(13-11-24)20-8-4-5-9-23-20/h2-9,14,26H,10-13,15H2,1H3