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

Systemtic Name: N-cyclopropyl-2-[4-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-[[1-(2,3-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=C(C(=CC=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2S/c1-16-4-3-5-19(17(16)2)27-9-8-23-22(27)30-15-21(29)26-12-10-25(11-13-26)14-20(28)24-18-6-7-18/h3-5,8-9,18H,6-7,10-15H2,1-2H3,(H,24,28)/p+1