(2S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C24H30N5O2+ MolecularWeight: 420.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C24H29N5O2/c1-3-29-18(2)19(15-26-29)17-28-14-8-7-11-22(28)24(30)27-20-12-13-23(25-16-20)31-21-9-5-4-6-10-21/h4-6,9-10,12-13,15-16,22H,3,7-8,11,14,17H2,1-2H3,(H,27,30)/p+1/t22-/m0/s1