3-bromanyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-benzamide dihydrate hydrochloride

Systemtic Name: 3-bromanyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-benzamide dihydrate hydrochloride Openeye Name: 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-benzamide dihydrate hydrochloride CAS Name: 3-bromo-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2,6-dimethoxybenzamide dihydrate hydrochloride IUPAC Name: 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide dihydrate hydrochloride Traditional Name: 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-benzamide dihydrate hydrochloride Formula: C16H28BrClN2O5 MolecularWeight: 443.76092

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=C(C=CC(=C2OC)Br)OC.O.O.Cl

Isomeric SMILES

CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2OC)Br)OC.O.O.Cl

InChI

InChI=1S/C16H23BrN2O3.ClH.2H2O/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3;;;/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20);1H;2*1H2/t11-;;;/m0.../s1