N-[3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[3-[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide IUPAC Name: N-[3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C21H27N3O4S/c25-19(16-6-3-12-28-16)23-21-18(15-5-1-2-7-17(15)29-21)20(26)22-8-4-9-24-10-13-27-14-11-24/h3,6,12H,1-2,4-5,7-11,13-14H2,(H,22,26)(H,23,25)/p+1