methyl 3-oxidanyl-4-[[4-(phenylcarbonyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate

Systemtic Name: methyl 3-oxidanyl-4-[[4-(phenylcarbonyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate Openeye Name: methyl 4-[(4-benzoylpiperidin-1-ium-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate CAS Name: 4-[(4-benzoyl-1-piperidin-1-iumyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 4-[(4-benzoylpiperidin-1-ium-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylate Traditional Name: 4-[(4-benzoylpiperidin-1-ium-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid methyl ester Formula: C25H26NO4+ MolecularWeight: 404.47824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4/c1-30-25(29)21-15-19-9-5-6-10-20(19)22(24(21)28)16-26-13-11-18(12-14-26)23(27)17-7-3-2-4-8-17/h2-10,15,18,28H,11-14,16H2,1H3/p+1