N-(2,6-dimethylphenyl)-2-[4-(5-methylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(5-methylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(5-methyl-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)C

InChI

InChI=1S/C20H25N3O2S/c1-14-5-4-6-15(2)19(14)21-18(24)13-22-9-11-23(12-10-22)20(25)17-8-7-16(3)26-17/h4-8H,9-13H2,1-3H3,(H,21,24)/p+1