N-(3-cyanothiophen-2-yl)-2-[4-(2-morpholin-4-ium-4-ylethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-(2-morpholin-4-ium-4-ylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-[2-(4-morpholin-4-iumyl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-ium-1-yl]acetamide Formula: C17H25N5O3S+2 MolecularWeight: 379.4771

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)C(=O)C[NH+]3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)C(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C17H23N5O3S/c18-11-14-1-10-26-17(14)19-15(23)12-20-2-4-22(5-3-20)16(24)13-21-6-8-25-9-7-21/h1,10H,2-9,12-13H2,(H,19,23)/p+2