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

Systemtic Name: 1-(4-nitrophenyl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]urea Openeye Name: 1-(4-nitrophenyl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]urea CAS Name: 1-(4-nitrophenyl)-3-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]urea IUPAC Name: 1-(4-nitrophenyl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]urea Traditional Name: 1-(4-nitrophenyl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]urea Formula: C17H21N4O3S+ MolecularWeight: 361.43864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3S/c22-17(19-13-5-7-14(8-6-13)21(23)24)18-12-15(16-4-3-11-25-16)20-9-1-2-10-20/h3-8,11,15H,1-2,9-10,12H2,(H2,18,19,22)/p+1/t15-/m0/s1