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

Systemtic Name: 1-phenyl-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]urea Openeye Name: 1-phenyl-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]urea CAS Name: 1-phenyl-3-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-(3-thiophenyl)ethyl]urea IUPAC Name: 1-phenyl-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-ylethyl]urea Traditional Name: 1-phenyl-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(3-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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3OS/c21-17(19-15-6-2-1-3-7-15)18-12-16(14-8-11-22-13-14)20-9-4-5-10-20/h1-3,6-8,11,13,16H,4-5,9-10,12H2,(H2,18,19,21)/p+1/t16-/m0/s1