ethyl 4-[(R)-(8-oxidanylquinolin-7-yl)-pyridin-2-yl-methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(R)-(8-oxidanylquinolin-7-yl)-pyridin-2-yl-methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(R)-(8-hydroxy-7-quinolyl)-(2-pyridyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(R)-(8-hydroxy-7-quinolinyl)-(2-pyridinyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(R)-(8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(R)-(8-hydroxy-7-quinolyl)-(2-pyridyl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H25N4O3+ MolecularWeight: 393.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4

InChI

InChI=1S/C22H24N4O3/c1-2-29-22(28)26-14-12-25(13-15-26)20(18-7-3-4-10-23-18)17-9-8-16-6-5-11-24-19(16)21(17)27/h3-11,20,27H,2,12-15H2,1H3/p+1/t20-/m1/s1