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

Systemtic Name: N-(2,4-dimethylphenyl)-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: N-(2,4-dimethylphenyl)-2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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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+]4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCCC4)C

InChI

InChI=1S/C22H27N3O2S/c1-14-8-9-17(15(2)12-14)23-21(27)20-16-6-5-7-18(16)28-22(20)24-19(26)13-25-10-3-4-11-25/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,23,27)(H,24,26)/p+1