N-phenethyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-phenethyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-phenethyl-N-(2-thienylmethyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-phenethyl-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-phenethyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-phenethyl-N-(2-thenyl)acetamide Formula: C26H30N3O2S+ MolecularWeight: 448.6003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CS3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CS3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2S/c30-25(21-27-15-17-28(18-16-27)26(31)23-10-5-2-6-11-23)29(20-24-12-7-19-32-24)14-13-22-8-3-1-4-9-22/h1-12,19H,13-18,20-21H2/p+1