methyl 3-oxidanyl-4-[(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)methyl]naphthalene-2-carboxylate

Systemtic Name: methyl 3-oxidanyl-4-[(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)methyl]naphthalene-2-carboxylate Openeye Name: methyl 3-hydroxy-4-[[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]methyl]naphthalene-2-carboxylate CAS Name: 3-hydroxy-4-[[4-[oxo(pyridin-4-yl)methyl]-1-piperazin-1-iumyl]methyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-[[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]methyl]naphthalene-2-carboxylate Traditional Name: 3-hydroxy-4-[(4-isonicotinoylpiperazin-1-ium-1-yl)methyl]naphthalene-2-carboxylic acid methyl ester Formula: C23H24N3O4+ MolecularWeight: 406.45436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCN(CC3)C(=O)C4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCN(CC3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H23N3O4/c1-30-23(29)19-14-17-4-2-3-5-18(17)20(21(19)27)15-25-10-12-26(13-11-25)22(28)16-6-8-24-9-7-16/h2-9,14,27H,10-13,15H2,1H3/p+1