N-phenethyl-N-(phenylmethyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-phenethyl-N-(phenylmethyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-benzyl-N-phenethyl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-phenethyl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-N-phenethyl-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]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=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

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