4-phenyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-phenyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-phenyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-phenyl-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-phenyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-phenyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C23H25N2OS+ MolecularWeight: 377.5224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2OS/c26-23(20-12-10-19(11-13-20)18-7-2-1-3-8-18)24-17-21(22-9-6-16-27-22)25-14-4-5-15-25/h1-3,6-13,16,21H,4-5,14-15,17H2,(H,24,26)/p+1/t21-/m0/s1