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

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

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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+]4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C[NH+]4CCCC4

InChI

InChI=1S/C22H27N3O3S/c1-2-28-16-10-8-15(9-11-16)23-21(27)20-17-6-5-7-18(17)29-22(20)24-19(26)14-25-12-3-4-13-25/h8-11H,2-7,12-14H2,1H3,(H,23,27)(H,24,26)/p+1