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

Systemtic Name: methyl 4-[[(3S)-3-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl]methyl]-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: methyl 3-hydroxy-4-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate CAS Name: 3-hydroxy-4-[[(3S)-3-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate Traditional Name: 3-hydroxy-4-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylic acid methyl ester Formula: C23H29N2O5+ MolecularWeight: 413.48676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCCC(C3)C(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCC[C@@H](C3)C(=O)N4CCOCC4

InChI

InChI=1S/C23H28N2O5/c1-29-23(28)19-13-16-5-2-3-7-18(16)20(21(19)26)15-24-8-4-6-17(14-24)22(27)25-9-11-30-12-10-25/h2-3,5,7,13,17,26H,4,6,8-12,14-15H2,1H3/p+1/t17-/m0/s1