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

Systemtic Name: (2S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C[NH+]2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1)C[NH+]2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2/c1-16-13-18(26-25-16)15-27-12-6-5-9-20(27)22(28)24-17-10-11-21(23-14-17)29-19-7-3-2-4-8-19/h2-4,7-8,10-11,13-14,20H,5-6,9,12,15H2,1H3,(H,24,28)(H,25,26)/p+1/t20-/m0/s1