N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C19H26N4O/c1-14-8-7-11-22(12-14)13-18(24)20-19-15(2)21-23(16(19)3)17-9-5-4-6-10-17/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H,20,24)/p+1/t14-/m1/s1