N-(2-ethylphenyl)-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: N-(2-ethylphenyl)-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: N-(2-ethylphenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: N-(2-ethylphenyl)-2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: N-(2-ethylphenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: N-(2-ethylphenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)C[NH+]4CCCC4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)C[NH+]4CCCC4

InChI

InChI=1S/C24H31N3O2S/c1-2-17-10-6-7-12-19(17)25-23(29)22-18-11-4-3-5-13-20(18)30-24(22)26-21(28)16-27-14-8-9-15-27/h6-7,10,12H,2-5,8-9,11,13-16H2,1H3,(H,25,29)(H,26,28)/p+1