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

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCCCCC4)C

InChI

InChI=1S/C24H31N3O2S/c1-16-10-11-19(17(2)14-16)25-23(29)22-18-8-7-9-20(18)30-24(22)26-21(28)15-27-12-5-3-4-6-13-27/h10-11,14H,3-9,12-13,15H2,1-2H3,(H,25,29)(H,26,28)/p+1