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

Systemtic Name: N-(2,4-dimethylphenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: N-(2,4-dimethylphenyl)-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCOCC4)C

InChI

InChI=1S/C22H27N3O3S/c1-14-6-7-17(15(2)12-14)23-21(27)20-16-4-3-5-18(16)29-22(20)24-19(26)13-25-8-10-28-11-9-25/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,23,27)(H,24,26)/p+1