4-azanyl-5-chloranyl-2-methoxy-N-[3-oxidanyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide ethanoate

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[3-oxidanyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide ethanoate Openeye Name: 4-amino-5-chloro-N-[3-hydroxy-1-(2-pyridylmethyl)-4-piperidyl]-2-methoxy-benzamide acetate CAS Name: 4-amino-5-chloro-N-[3-hydroxy-1-(2-pyridinylmethyl)-4-piperidinyl]-2-methoxybenzamide acetate IUPAC Name: 4-amino-5-chloro-N-[3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methoxybenzamide acetate Traditional Name: 4-amino-5-chloro-N-[3-hydroxy-1-(2-pyridylmethyl)-4-piperidyl]-2-methoxy-benzamide acetate Formula: C21H26ClN4O5- MolecularWeight: 449.90794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=CC(=C(C=C1C(=O)NC2CCN(CC2O)CC3=CC=CC=N3)Cl)N

Isomeric SMILES

CC(=O)[O-].COC1=CC(=C(C=C1C(=O)NC2CCN(CC2O)CC3=CC=CC=N3)Cl)N

InChI

InChI=1S/C19H23ClN4O3.C2H4O2/c1-27-18-9-15(21)14(20)8-13(18)19(26)23-16-5-7-24(11-17(16)25)10-12-4-2-3-6-22-12;1-2(3)4/h2-4,6,8-9,16-17,25H,5,7,10-11,21H2,1H3,(H,23,26);1H3,(H,3,4)/p-1