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

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H32N4O/c1-18-15-19(2)26(24-18)12-6-11-23-22(27)17-25-13-9-21(10-14-25)16-20-7-4-3-5-8-20/h3-5,7-8,15,21H,6,9-14,16-17H2,1-2H3,(H,23,27)/p+1