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

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c26-19(15-25-13-6-1-2-7-14-25)24-22-20(17-11-8-12-18(17)28-22)21(27)23-16-9-4-3-5-10-16/h3-5,9-10H,1-2,6-8,11-15H2,(H,23,27)(H,24,26)/p+1