1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-methoxy-2-nitro-phenyl)urea

Systemtic Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-methoxy-2-nitro-phenyl)urea Openeye Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-methoxy-2-nitro-phenyl)urea CAS Name: 1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-(4-methoxy-2-nitrophenyl)urea IUPAC Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-methoxy-2-nitrophenyl)urea Traditional Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-methoxy-2-nitro-phenyl)urea Formula: C15H23N4O4+ MolecularWeight: 323.36752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O4/c1-3-18-8-4-5-11(18)10-16-15(20)17-13-7-6-12(23-2)9-14(13)19(21)22/h6-7,9,11H,3-5,8,10H2,1-2H3,(H2,16,17,20)/p+1/t11-/m0/s1