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

Systemtic Name: N'-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanediamide Openeye Name: N'-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide CAS Name: N'-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]oxamide IUPAC Name: N'-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide Traditional Name: N'-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O4S/c19-15(23)14-12-4-1-2-5-13(12)27-18(14)21-17(25)16(24)20-6-3-7-22-8-10-26-11-9-22/h1-11H2,(H2,19,23)(H,20,24)(H,21,25)/p+1