2-(4-acetamido-4-phenyl-piperidin-1-ium-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamide

Systemtic Name: 2-(4-acetamido-4-phenyl-piperidin-1-ium-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamide Openeye Name: 2-(4-acetamido-4-phenyl-piperidin-1-ium-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide CAS Name: 2-(4-acetamido-4-phenyl-1-piperidin-1-iumyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide IUPAC Name: 2-(4-acetamido-4-phenylpiperidin-1-ium-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide Traditional Name: 2-(4-acetamido-4-phenyl-piperidin-1-ium-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCC(CC2)(C3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCC(CC2)(C3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C20H27N5O2/c1-14-19(15(2)24-23-14)21-18(27)13-25-11-9-20(10-12-25,22-16(3)26)17-7-5-4-6-8-17/h4-8H,9-13H2,1-3H3,(H,21,27)(H,22,26)(H,23,24)/p+1