2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6-iodanyl-3-methoxy-phenolate

Systemtic Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6-iodanyl-3-methoxy-phenolate Openeye Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6-iodo-3-methoxy-phenolate CAS Name: 2-[[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-oxomethyl]-6-iodo-3-methoxyphenolate IUPAC Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6-iodo-3-methoxyphenolate Traditional Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6-iodo-3-methoxy-phenolate Formula: C15H21IN2O3 MolecularWeight: 404.24331

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1