(2S)-N-(6-phenoxypyridin-3-yl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2/c1-18(2)29-17-19(14-26-29)16-28-13-7-6-10-22(28)24(30)27-20-11-12-23(25-15-20)31-21-8-4-3-5-9-21/h3-5,8-9,11-12,14-15,17-18,22H,6-7,10,13,16H2,1-2H3,(H,27,30)/p+1/t22-/m0/s1