ethyl 1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H23BrNO3+ MolecularWeight: 357.26272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C16H22BrNO3/c1-3-21-16(19)12-6-8-18(9-7-12)11-13-10-14(17)4-5-15(13)20-2/h4-5,10,12H,3,6-9,11H2,1-2H3/p+1