N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1C)C)CC(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C19H28N4O2/c1-14-16(15(2)22(3)21-14)12-19(24)20-13-17(18-8-7-11-25-18)23-9-5-4-6-10-23/h7-8,11,17H,4-6,9-10,12-13H2,1-3H3,(H,20,24)/p+1/t17-/m0/s1