N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-[(1R)-1,4-dimethylpent-4-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-[(1R)-1,4-dimethylpent-4-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O/c1-18(2)9-10-19(3)26-15-12-21(13-16-26)27-22(11-14-24-27)25-23(28)17-20-7-5-4-6-8-20/h4-8,11,14,19,21H,1,9-10,12-13,15-17H2,2-3H3,(H,25,28)/p+1/t19-/m1/s1