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

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(4-ethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-(4-ethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-p-phenetyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCCCCC4

InChI

InChI=1S/C24H31N3O3S/c1-2-30-18-12-10-17(11-13-18)25-23(29)22-19-8-7-9-20(19)31-24(22)26-21(28)16-27-14-5-3-4-6-15-27/h10-13H,2-9,14-16H2,1H3,(H,25,29)(H,26,28)/p+1