2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[1-(3-phenylprop-2-ynyl)-1-piperidin-1-iumyl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]acetamide Formula: C25H31N2O+ MolecularWeight: 375.52644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[N+]2(CCCCC2)CC#CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[N+]2(CCCCC2)CC#CC3=CC=CC=C3)C

InChI

InChI=1S/C25H30N2O/c1-20-17-21(2)25(22(3)18-20)26-24(28)19-27(14-8-5-9-15-27)16-10-13-23-11-6-4-7-12-23/h4,6-7,11-12,17-18H,5,8-9,14-16,19H2,1-3H3/p+1