ethyl 1-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(2-bromo-4,6-dimethyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2-bromo-4,6-dimethyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H27BrNO3+ MolecularWeight: 385.31588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCOC2=C(C=C(C=C2Br)C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCOC2=C(C=C(C=C2Br)C)C

InChI

InChI=1S/C18H26BrNO3/c1-4-22-18(21)15-5-7-20(8-6-15)9-10-23-17-14(3)11-13(2)12-16(17)19/h11-12,15H,4-10H2,1-3H3/p+1