ethyl 1-[2-[[4-(4-bromanylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[4-(4-bromanylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[4-(4-bromophenoxy)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-(4-bromophenoxy)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(4-bromophenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[4-(4-bromophenoxy)anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H26BrN2O4+ MolecularWeight: 462.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN2O4/c1-2-28-22(27)16-11-13-25(14-12-16)15-21(26)24-18-5-9-20(10-6-18)29-19-7-3-17(23)4-8-19/h3-10,16H,2,11-15H2,1H3,(H,24,26)/p+1