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

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C22H27BrN3O2S+ MolecularWeight: 477.43768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H26BrN3O2S/c23-15-8-10-16(11-9-15)24-21(28)20-17-6-5-7-18(17)29-22(20)25-19(27)14-26-12-3-1-2-4-13-26/h8-11H,1-7,12-14H2,(H,24,28)(H,25,27)/p+1