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

Systemtic Name: 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-nitrophenyl)urea Openeye Name: 1-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-nitrophenyl)urea CAS Name: 1-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-nitrophenyl)urea Formula: C17H21N4O4+ MolecularWeight: 345.37304

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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=CO3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C17H20N4O4/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