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

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[4-(phenylmethyl)-1-piperidin-1-iumyl]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O/c1-15-20(16(2)23(3)22-15)21-19(25)14-24-11-9-18(10-12-24)13-17-7-5-4-6-8-17/h4-8,18H,9-14H2,1-3H3,(H,21,25)/p+1