ethyl 1-(1-chloranylisoquinolin-2-ium-3-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(1-chloranylisoquinolin-2-ium-3-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(1-chloroisoquinolin-2-ium-3-yl)piperidine-4-carboxylate CAS Name: 1-(1-chloro-3-isoquinolin-2-iumyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-chloroisoquinolin-2-ium-3-yl)piperidine-4-carboxylate Traditional Name: 1-(1-chloroisoquinolin-2-ium-3-yl)isonipecotic acid ethyl ester Formula: C17H20ClN2O2+ MolecularWeight: 319.8059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC3=CC=CC=C3C(=[NH+]2)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC3=CC=CC=C3C(=[NH+]2)Cl

InChI

InChI=1S/C17H19ClN2O2/c1-2-22-17(21)12-7-9-20(10-8-12)15-11-13-5-3-4-6-14(13)16(18)19-15/h3-6,11-12H,2,7-10H2,1H3/p+1