5-bromanyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiophene-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiophene-3-carboxamide Openeye Name: 5-bromo-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiophene-3-carboxamide CAS Name: 5-bromo-N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-thiophenecarboxamide IUPAC Name: 5-bromo-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]thiophene-3-carboxamide Traditional Name: 5-bromo-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiophene-3-carboxamide Formula: C18H22BrN2O2S+ MolecularWeight: 410.34848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O2S/c1-23-15-6-4-5-13(9-15)16(21-7-2-3-8-21)11-20-18(22)14-10-17(19)24-12-14/h4-6,9-10,12,16H,2-3,7-8,11H2,1H3,(H,20,22)/p+1/t16-/m0/s1