N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C21H25N2O2S+ MolecularWeight: 369.5004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCCC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24N2O2S/c24-18(14-23-12-6-7-13-23)22-21-19(16-10-4-5-11-17(16)26-21)20(25)15-8-2-1-3-9-15/h1-3,8-9H,4-7,10-14H2,(H,22,24)/p+1