ethyl 4-[(R)-(8-oxidanylquinolin-7-yl)-pyridin-3-yl-methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(R)-(8-oxidanylquinolin-7-yl)-pyridin-3-yl-methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(R)-(8-hydroxy-7-quinolyl)-(3-pyridyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(R)-(8-hydroxy-7-quinolinyl)-(3-pyridinyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(R)-(8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(R)-(8-hydroxy-7-quinolyl)-(3-pyridyl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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