(2S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide Formula: C25H32N5O2+ MolecularWeight: 434.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCCCC2C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCCC[C@H]2C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

InChI

InChI=1S/C25H31N5O2/c1-2-3-9-24-27-16-20(28-24)18-30-15-5-4-8-23(30)25(31)29-19-10-12-21(13-11-19)32-22-7-6-14-26-17-22/h6-7,10-14,16-17,23H,2-5,8-9,15,18H2,1H3,(H,27,28)(H,29,31)/p+1/t23-/m0/s1