2-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-(benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[1-benzothiophen-2-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H25N3O2S/c1-16-6-5-8-19(17(16)2)24-22(27)15-25-10-12-26(13-11-25)23(28)21-14-18-7-3-4-9-20(18)29-21/h3-9,14H,10-13,15H2,1-2H3,(H,24,27)/p+1