N-cyclopropyl-2-[4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H30N5O2S+ MolecularWeight: 428.5709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)C

InChI

InChI=1S/C22H29N5O2S/c1-16-11-17(2)13-19(12-16)27-6-5-23-22(27)30-15-21(29)26-9-7-25(8-10-26)14-20(28)24-18-3-4-18/h5-6,11-13,18H,3-4,7-10,14-15H2,1-2H3,(H,24,28)/p+1