N-(4-bromophenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Systemtic Name: N-(4-bromophenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: N-(4-bromophenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: N-(4-bromophenyl)-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: N-(4-bromophenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: N-(4-bromophenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C20H23BrN3O3S+ MolecularWeight: 465.38392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)NC(=O)C[NH+]4CCOCC4

Isomeric SMILES

C1CC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)NC(=O)C[NH+]4CCOCC4

InChI

InChI=1S/C20H22BrN3O3S/c21-13-4-6-14(7-5-13)22-19(26)18-15-2-1-3-16(15)28-20(18)23-17(25)12-24-8-10-27-11-9-24/h4-7H,1-3,8-12H2,(H,22,26)(H,23,25)/p+1