ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-carbonyl]amino]acetate CAS Name: 2-[[oxo-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-carbonyl]amino]acetate Traditional Name: 2-[[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-carbonyl]amino]acetic acid ethyl ester Formula: C20H31N4O3+ MolecularWeight: 375.48514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCC(C1)C2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CNC(=O)N1CC[C@@H](C1)C2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C20H30N4O3/c1-2-27-19(25)13-22-20(26)24-11-7-18(15-24)17-5-9-23(10-6-17)14-16-4-3-8-21-12-16/h3-4,8,12,17-18H,2,5-7,9-11,13-15H2,1H3,(H,22,26)/p+1/t18-/m0/s1