(2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-N-[4-(3-pyridinyloxy)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-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:

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

Isomeric SMILES

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

InChI

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