N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H26N4O/c1-15-6-5-11-23(13-15)14-20(25)21-19-12-18(16-9-10-16)22-24(19)17-7-3-2-4-8-17/h2-4,7-8,12,15-16H,5-6,9-11,13-14H2,1H3,(H,21,25)/p+1/t15-/m0/s1