3-methoxy-3-[1-[[2-(2-methoxyethanoyl)phenyl]amino]piperidin-1-ium-1-yl]butanoic acid

Systemtic Name: 3-methoxy-3-[1-[[2-(2-methoxyethanoyl)phenyl]amino]piperidin-1-ium-1-yl]butanoic acid Openeye Name: 3-methoxy-3-[1-[2-(2-methoxyacetyl)anilino]piperidin-1-ium-1-yl]butanoic acid CAS Name: 3-methoxy-3-[1-[2-(2-methoxy-1-oxoethyl)anilino]-1-piperidin-1-iumyl]butanoic acid IUPAC Name: 3-methoxy-3-[1-[2-(2-methoxyacetyl)anilino]piperidin-1-ium-1-yl]butanoic acid Traditional Name: 3-methoxy-3-[1-[2-(2-methoxyacetyl)anilino]piperidin-1-ium-1-yl]butyric acid Formula: C19H29N2O5+ MolecularWeight: 365.44396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)([N+]1(CCCCC1)NC2=CC=CC=C2C(=O)COC)OC

Isomeric SMILES

CC(CC(=O)O)([N+]1(CCCCC1)NC2=CC=CC=C2C(=O)COC)OC

InChI

InChI=1S/C19H28N2O5/c1-19(26-3,13-18(23)24)21(11-7-4-8-12-21)20-16-10-6-5-9-15(16)17(22)14-25-2/h5-6,9-10H,4,7-8,11-14H2,1-3H3,(H-,20,22,23,24)/p+1