N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-(3-methylbut-2-enyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC(=CC[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H28N4O/c1-17(2)9-13-24-14-10-19(11-15-24)25-20(8-12-22-25)23-21(26)16-18-6-4-3-5-7-18/h3-9,12,19H,10-11,13-16H2,1-2H3,(H,23,26)/p+1