1-phenyl-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]urea

Systemtic Name: 1-phenyl-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]urea Openeye Name: 1-phenyl-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]urea CAS Name: 1-phenyl-3-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]urea IUPAC Name: 1-phenyl-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]urea Traditional Name: 1-phenyl-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]urea Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)NC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)NC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C17H21N3OS/c21-17(19-14-7-2-1-3-8-14)18-13-15(16-9-6-12-22-16)20-10-4-5-11-20/h1-3,6-9,12,15H,4-5,10-11,13H2,(H2,18,19,21)/p+1/t15-/m0/s1