3-bromanyl-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 3-bromo-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 3-bromo-N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3-bromo-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 3-bromo-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C17H20BrN2OS+ MolecularWeight: 380.3225

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC(=CC=C2)Br)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)C2=CC(=CC=C2)Br)C3=CC=CS3

InChI

InChI=1S/C17H19BrN2OS/c18-14-6-3-5-13(11-14)17(21)19-12-15(16-7-4-10-22-16)20-8-1-2-9-20/h3-7,10-11,15H,1-2,8-9,12H2,(H,19,21)/p+1/t15-/m1/s1