N-[3-(4-tert-butylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[3-(4-tert-butylbenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[3-(4-tert-butylbenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C26H35N2O2S+ MolecularWeight: 439.6333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C26H34N2O2S/c1-26(2,3)19-13-11-18(12-14-19)24(30)23-20-9-5-6-10-21(20)31-25(23)27-22(29)17-28-15-7-4-8-16-28/h11-14H,4-10,15-17H2,1-3H3,(H,27,29)/p+1