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

Systemtic Name: 3-bromanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxy-benzamide hydrate hydrochloride Openeye Name: 3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxy-benzamide hydrate hydrochloride CAS Name: 3-bromo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxybenzamide hydrate hydrochloride IUPAC Name: 3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide hydrate hydrochloride Traditional Name: 3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxy-benzamide hydrate hydrochloride Formula: C16H26BrClN2O4 MolecularWeight: 425.74564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN2O3.ClH.H2O/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;1H2