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

Systemtic Name: methyl 3-oxidanyl-4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate Openeye Name: methyl 3-hydroxy-4-[[(2S)-2-(3-pyridyl)pyrrolidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate CAS Name: 3-hydroxy-4-[[(2S)-2-(3-pyridinyl)-1-pyrrolidin-1-iumyl]methyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate Traditional Name: 3-hydroxy-4-[[(2S)-2-(3-pyridyl)pyrrolidin-1-ium-1-yl]methyl]naphthalene-2-carboxylic acid methyl ester Formula: C22H23N2O3+ MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCCC3C4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-27-22(26)18-12-15-6-2-3-8-17(15)19(21(18)25)14-24-11-5-9-20(24)16-7-4-10-23-13-16/h2-4,6-8,10,12-13,20,25H,5,9,11,14H2,1H3/p+1/t20-/m0/s1