ethyl 1-[4-(3-bromanylphenoxy)butyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[4-(3-bromanylphenoxy)butyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[4-(3-bromophenoxy)butyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[4-(3-bromophenoxy)butyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3-bromophenoxy)butyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[4-(3-bromophenoxy)butyl]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)CCCCOC2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCCCOC2=CC(=CC=C2)Br

InChI

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