4-bromanyl-3,5-dimethoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C22H28BrN2O4+ MolecularWeight: 464.37272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=C(C(=C2)OC)Br)OC)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=C(C(=C2)OC)Br)OC)[NH+]3CCCC3

InChI

InChI=1S/C22H27BrN2O4/c1-27-17-8-6-15(7-9-17)18(25-10-4-5-11-25)14-24-22(26)16-12-19(28-2)21(23)20(13-16)29-3/h6-9,12-13,18H,4-5,10-11,14H2,1-3H3,(H,24,26)/p+1/t18-/m0/s1