3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6,7-dimethoxy-4-oxidanylidene-1-prop-2-enyl-quinolin-2-olate

Systemtic Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6,7-dimethoxy-4-oxidanylidene-1-prop-2-enyl-quinolin-2-olate Openeye Name: 1-allyl-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6,7-dimethoxy-4-oxo-quinolin-2-olate CAS Name: 3-[[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-oxomethyl]-6,7-dimethoxy-4-oxo-1-prop-2-enyl-2-quinolinolate IUPAC Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6,7-dimethoxy-4-oxo-1-prop-2-enylquinolin-2-olate Traditional Name: 1-allyl-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-4-keto-6,7-dimethoxy-quinolin-2-olate Formula: C22H29N3O5 MolecularWeight: 415.48276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=C(N(C3=CC(=C(C=C3C2=O)OC)OC)CC=C)[O-]

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2=C(N(C3=CC(=C(C=C3C2=O)OC)OC)CC=C)[O-]

InChI

InChI=1S/C22H29N3O5/c1-5-9-25-16-12-18(30-4)17(29-3)11-15(16)20(26)19(22(25)28)21(27)23-13-14-8-7-10-24(14)6-2/h5,11-12,14,28H,1,6-10,13H2,2-4H3,(H,23,27)/t14-/m0/s1