1-[2-[2-(4-bromanylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[2-(4-bromanylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2-(4-bromophenoxy)ethyl-methyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2-(4-bromophenoxy)ethyl-methyl-amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H25BrN3O3+ MolecularWeight: 399.3027

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Br)C(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Br)C(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H24BrN3O3/c1-20(10-11-24-15-4-2-14(18)3-5-15)16(22)12-21-8-6-13(7-9-21)17(19)23/h2-5,13H,6-12H2,1H3,(H2,19,23)/p+1