methyl 3-[[2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]amino]propanoate CAS Name: 3-[[oxo-[2-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]amino]propanoate Traditional Name: 3-[[2-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]amino]propionic acid methyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC=CC=C1OC2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC=CC=C1OC2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C22H27N3O4/c1-28-21(26)9-13-24-22(27)19-7-2-3-8-20(19)29-18-10-14-25(15-11-18)16-17-6-4-5-12-23-17/h2-8,12,18H,9-11,13-16H2,1H3,(H,24,27)/p+1