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

Systemtic Name: N-[3-(2-methylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(2-methylbenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide CAS Name: N-[3-[(2-methylphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methyl-1-piperidin-1-iumyl)acetamide IUPAC Name: N-[3-(2-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide Traditional Name: 2-(4-methylpiperidin-1-ium-1-yl)-N-(3-o-toluoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C24H31N2O2S+ MolecularWeight: 411.58014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=CC=C4C

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=CC=C4C

InChI

InChI=1S/C24H30N2O2S/c1-16-11-13-26(14-12-16)15-21(27)25-24-22(19-9-5-6-10-20(19)29-24)23(28)18-8-4-3-7-17(18)2/h3-4,7-8,16H,5-6,9-15H2,1-2H3,(H,25,27)/p+1