N-[2-(phenylmethyl)phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(phenylmethyl)phenyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-benzylphenyl)-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-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-benzylphenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C24H26N3O2S+ MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H25N3O2S/c28-23(18-26-12-14-27(15-13-26)24(29)22-11-6-16-30-22)25-21-10-5-4-9-20(21)17-19-7-2-1-3-8-19/h1-11,16H,12-15,17-18H2,(H,25,28)/p+1