(2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC[NH+]2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1CCC[NH+]2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C25H31N5O2/c1-19-17-20(2)30(28-19)16-8-15-29-14-7-6-11-23(29)25(31)27-21-12-13-24(26-18-21)32-22-9-4-3-5-10-22/h3-5,9-10,12-13,17-18,23H,6-8,11,14-16H2,1-2H3,(H,27,31)/p+1/t23-/m0/s1