methyl 3-bromanyl-4-[[1-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 3-bromanyl-4-[[1-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 3-bromo-4-[[1-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]benzoate CAS Name: 3-bromo-4-[[1-(methoxymethyl)-1-pyrrolidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[[1-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-bromo-4-[[1-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C15H21BrNO3+ MolecularWeight: 343.23614

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Descriptors Computed from Structure

Canonical SMILES:

COC[N+]1(CCCC1)CC2=C(C=C(C=C2)C(=O)OC)Br

Isomeric SMILES

COC[N+]1(CCCC1)CC2=C(C=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C15H21BrNO3/c1-19-11-17(7-3-4-8-17)10-13-6-5-12(9-14(13)16)15(18)20-2/h5-6,9H,3-4,7-8,10-11H2,1-2H3/q+1