N-(4-bromophenyl)-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Systemtic Name: N-(4-bromophenyl)-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: N-(4-bromophenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: N-(4-bromophenyl)-2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: N-(4-bromophenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: N-(4-bromophenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C20H23BrN3O2S+ MolecularWeight: 449.38452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC[NH+](C1)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H22BrN3O2S/c21-13-6-8-14(9-7-13)22-19(26)18-15-4-3-5-16(15)27-20(18)23-17(25)12-24-10-1-2-11-24/h6-9H,1-5,10-12H2,(H,22,26)(H,23,25)/p+1