N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)ethanediamide

Systemtic Name: N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)ethanediamide Openeye Name: N'-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide CAS Name: N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]oxamide IUPAC Name: N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide Traditional Name: N'-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide Formula: C17H23N4O3S+ MolecularWeight: 363.45452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)NCC[NH+]3CCOCC3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)NCC[NH+]3CCOCC3)C#N

InChI

InChI=1S/C17H22N4O3S/c18-11-13-12-3-1-2-4-14(12)25-17(13)20-16(23)15(22)19-5-6-21-7-9-24-10-8-21/h1-10H2,(H,19,22)(H,20,23)/p+1