methyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-3-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: methyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: methyl 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]methyl]-3-hydroxy-naphthalene-2-carboxylate CAS Name: 4-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-3-hydroxy-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]methyl]-3-hydroxynaphthalene-2-carboxylate Traditional Name: 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]methyl]-3-hydroxy-naphthalene-2-carboxylic acid methyl ester Formula: C28H31N2O4+ MolecularWeight: 459.55674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H30N2O4/c1-34-28(33)24-16-21-7-4-5-9-23(21)25(26(24)31)18-29-13-10-20(11-14-29)27(32)30-15-12-19-6-2-3-8-22(19)17-30/h2-9,16,20,31H,10-15,17-18H2,1H3/p+1