N-ethyl-N-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-ethyl-N-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-ethyl-N-[2-oxo-2-(2-thienylmethylamino)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-ethyl-N-[2-keto-2-(2-thenylamino)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-2-24(16-20(26)22-15-19-9-6-14-28-19)21(27)17-23-10-12-25(13-11-23)18-7-4-3-5-8-18/h3-9,14H,2,10-13,15-17H2,1H3,(H,22,26)/p+1