2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c1-21(2,17-7-4-3-5-8-17)20(26)24-12-10-23(11-13-24)16-19(25)22-15-18-9-6-14-27-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)/p+1