1-(3-bromophenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]cyclopropane-1-carboxamide

Systemtic Name: 1-(3-bromophenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]cyclopropane-1-carboxamide Openeye Name: 1-(3-bromophenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]cyclopropanecarboxamide CAS Name: 1-(3-bromophenyl)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-1-cyclopropanecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide Traditional Name: 1-(3-bromophenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]cyclopropanecarboxamide Formula: C20H24BrN2OS+ MolecularWeight: 420.38636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2(CC2)C3=CC(=CC=C3)Br)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2(CC2)C3=CC(=CC=C3)Br)C4=CC=CS4

InChI

InChI=1S/C20H23BrN2OS/c21-16-6-3-5-15(13-16)20(8-9-20)19(24)22-14-17(18-7-4-12-25-18)23-10-1-2-11-23/h3-7,12-13,17H,1-2,8-11,14H2,(H,22,24)/p+1/t17-/m0/s1