N-(2,6-dimethylphenyl)-2-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[3-[(methylthio)methyl]benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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(=CC=C3)CSC

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-17-6-4-7-18(2)22(17)24-21(27)15-25-10-12-26(13-11-25)23(28)20-9-5-8-19(14-20)16-29-3/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,27)/p+1