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

Systemtic Name: N-ethyl-N-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-ethyl-N-[2-oxo-2-(2-thienylmethylamino)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-ethyl-N-[2-keto-2-(2-thenylamino)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H29N5O2S+2 MolecularWeight: 403.54156

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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=[NH+]3

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H27N5O2S/c1-2-24(15-19(26)22-14-17-6-5-13-28-17)20(27)16-23-9-11-25(12-10-23)18-7-3-4-8-21-18/h3-8,13H,2,9-12,14-16H2,1H3,(H,22,26)/p+2