N-(4-methyl-3-morpholin-4-ylcarbonyl-5-phenyl-thiophen-2-yl)-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylcarbonyl-5-phenyl-thiophen-2-yl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenyl-2-thienyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[4-methyl-3-[4-morpholinyl(oxo)methyl]-5-phenyl-2-thiophenyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenyl-2-thienyl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCOCC2)NC(=O)C[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCOCC2)NC(=O)C[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c1-16-19(22(27)25-11-13-28-14-12-25)21(23-18(26)15-24-9-5-6-10-24)29-20(16)17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,23,26)/p+1