2-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethanamide

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethanamide Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]acetamide CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-N-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]acetamide IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]acetamide Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]acetamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NC2=CC=C(C=C2)OCC[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NC2=CC=C(C=C2)OCC[NH+]3CCCCC3)C

InChI

InChI=1S/C20H28N4O2/c1-16-14-17(2)24(22-16)15-20(25)21-18-6-8-19(9-7-18)26-13-12-23-10-4-3-5-11-23/h6-9,14H,3-5,10-13,15H2,1-2H3,(H,21,25)/p+1