ethyl (3S)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(5-bromo-2-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H23BrNO3+ MolecularWeight: 357.26272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C16H22BrNO3/c1-3-21-16(19)12-5-4-8-18(10-12)11-13-9-14(17)6-7-15(13)20-2/h6-7,9,12H,3-5,8,10-11H2,1-2H3/p+1/t12-/m0/s1