N-(4-morpholin-4-ylphenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-morpholinophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(4-morpholinyl)phenyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-morpholinophenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N4O3S/c26-20(22-17-3-5-18(6-4-17)24-11-13-28-14-12-24)16-23-7-9-25(10-8-23)21(27)19-2-1-15-29-19/h1-6,15H,7-14,16H2,(H,22,26)/p+1