[(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl 3-bromanyl-4-methoxy-benzoate Openeye Name: [(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [(2R)-1-(cyclopropylmethyl)-2-pyrrolidin-1-iumyl]methyl ester IUPAC Name: [(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl ester Formula: C17H23BrNO3+ MolecularWeight: 369.27342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2CCC[NH+]2CC3CC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC[C@H]2CCC[NH+]2CC3CC3)Br

InChI

InChI=1S/C17H22BrNO3/c1-21-16-7-6-13(9-15(16)18)17(20)22-11-14-3-2-8-19(14)10-12-4-5-12/h6-7,9,12,14H,2-5,8,10-11H2,1H3/p+1/t14-/m1/s1