(5S)-5-methyl-1-(4-methylphenyl)-3-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione

Systemtic Name: (5S)-5-methyl-1-(4-methylphenyl)-3-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione Openeye Name: (5S)-5-methyl-1-(p-tolyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4-dione CAS Name: (5S)-5-methyl-1-(4-methylphenyl)-3-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]imidazolidine-2,4-dione IUPAC Name: (5S)-5-methyl-1-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4-dione Traditional Name: (5S)-5-methyl-1-(p-tolyl)-3-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]hydantoin Formula: C21H25N4O3S+ MolecularWeight: 413.5132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C[C@H]1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N4O3S/c1-15-5-7-17(8-6-15)25-16(2)19(26)24(21(25)28)14-22-9-11-23(12-10-22)20(27)18-4-3-13-29-18/h3-8,13,16H,9-12,14H2,1-2H3/p+1/t16-/m0/s1