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

Systemtic Name: N'-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)ethanediamide Openeye Name: N'-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide CAS Name: N'-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]oxamide IUPAC Name: N'-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide Traditional Name: N'-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide Formula: C17H25N4O4S+ MolecularWeight: 381.4698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O4S/c18-14(22)13-11-3-1-2-4-12(11)26-17(13)20-16(24)15(23)19-5-6-21-7-9-25-10-8-21/h1-10H2,(H2,18,22)(H,19,23)(H,20,24)/p+1