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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=C1)C[NH+]2CCCCC2C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

Isomeric SMILES

CC(C)CC1=NNC(=C1)C[NH+]2CCCC[C@H]2C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

InChI

InChI=1S/C25H31N5O2/c1-18(2)14-20-15-21(29-28-20)17-30-13-4-3-7-24(30)25(31)27-19-8-10-22(11-9-19)32-23-6-5-12-26-16-23/h5-6,8-12,15-16,18,24H,3-4,7,13-14,17H2,1-2H3,(H,27,31)(H,28,29)/p+1/t24-/m0/s1