N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-4-nitro-benzamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-4-nitro-benzamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-4-nitro-benzamide CAS Name: N-[[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-oxomethyl]-4-nitrobenzamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-4-nitrobenzamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-4-nitro-benzamide Formula: C15H21N4O4+ MolecularWeight: 321.35164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O4/c1-2-18-9-3-4-13(18)10-16-15(21)17-14(20)11-5-7-12(8-6-11)19(22)23/h5-8,13H,2-4,9-10H2,1H3,(H2,16,17,20,21)/p+1/t13-/m0/s1