ethyl 1-[3-(2-bromanyl-4-methyl-phenoxy)propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-(2-bromanyl-4-methyl-phenoxy)propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(2-bromo-4-methyl-phenoxy)propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(2-bromo-4-methylphenoxy)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-bromo-4-methylphenoxy)propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(2-bromo-4-methyl-phenoxy)propyl]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)CCCOC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCCOC2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C18H26BrNO3/c1-3-22-18(21)15-7-10-20(11-8-15)9-4-12-23-17-6-5-14(2)13-16(17)19/h5-6,13,15H,3-4,7-12H2,1-2H3/p+1