1-(3,4-dichlorophenyl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]urea

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]urea Openeye Name: 1-(3,4-dichlorophenyl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]urea CAS Name: 1-(3,4-dichlorophenyl)-3-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]urea IUPAC Name: 1-(3,4-dichlorophenyl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]urea Traditional Name: 1-(3,4-dichlorophenyl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]urea Formula: C17H20Cl2N3OS+ MolecularWeight: 385.3312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19Cl2N3OS/c18-13-6-5-12(10-14(13)19)21-17(23)20-11-15(16-4-3-9-24-16)22-7-1-2-8-22/h3-6,9-10,15H,1-2,7-8,11H2,(H2,20,21,23)/p+1/t15-/m0/s1