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

Systemtic Name: N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]ethanamide Openeye Name: N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-oxo-2-(2-thienylmethylamino)ethyl]acetamide CAS Name: N-ethyl-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide IUPAC Name: N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide Traditional Name: N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[2-keto-2-(2-thenylamino)ethyl]acetamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-2-24(15-20(27)22-14-19-4-3-13-29-19)21(28)16-23-9-11-25(12-10-23)17-5-7-18(26)8-6-17/h3-8,13,26H,2,9-12,14-16H2,1H3,(H,22,27)/p+1