1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-nitrophenyl)thiourea Formula: C14H21N4O2S+ MolecularWeight: 309.40714

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O2S/c1-2-17-9-3-4-13(17)10-15-14(21)16-11-5-7-12(8-6-11)18(19)20/h5-8,13H,2-4,9-10H2,1H3,(H2,15,16,21)/p+1/t13-/m1/s1