ethyl (3R)-1-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(6-bromo-2-hydroxy-1-naphthalenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H23BrNO3+ MolecularWeight: 393.29482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(C=CC3=C2C=CC(=C3)Br)O

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=C(C=CC3=C2C=CC(=C3)Br)O

InChI

InChI=1S/C19H22BrNO3/c1-2-24-19(23)14-4-3-9-21(11-14)12-17-16-7-6-15(20)10-13(16)5-8-18(17)22/h5-8,10,14,22H,2-4,9,11-12H2,1H3/p+1/t14-/m1/s1