N-[2-(phenylcarbonyl)phenyl]-3-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[2-(phenylcarbonyl)phenyl]-3-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2-benzoylphenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(2-benzoylphenyl)-3-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-benzoylphenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(2-benzoylphenyl)-3-[4-(2-thenoyl)piperazin-1-ium-1-yl]propionamide Formula: C25H26N3O3S+ MolecularWeight: 448.55724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H25N3O3S/c29-23(12-13-27-14-16-28(17-15-27)25(31)22-11-6-18-32-22)26-21-10-5-4-9-20(21)24(30)19-7-2-1-3-8-19/h1-11,18H,12-17H2,(H,26,29)/p+1