(2S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(3-pyridyloxy)phenyl]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)C[NH+]2CCCCC2C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O2/c1-3-29-17-19(18(2)27-29)16-28-14-5-4-8-23(28)24(30)26-20-9-11-21(12-10-20)31-22-7-6-13-25-15-22/h6-7,9-13,15,17,23H,3-5,8,14,16H2,1-2H3,(H,26,30)/p+1/t23-/m0/s1