5-chloranyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-nitro-benzamide CAS Name: 5-chloro-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-nitro-benzamide Formula: C14H19ClN3O3+ MolecularWeight: 312.77196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O3/c1-2-17-7-3-4-11(17)9-16-14(19)12-8-10(15)5-6-13(12)18(20)21/h5-6,8,11H,2-4,7,9H2,1H3,(H,16,19)/p+1/t11-/m0/s1