2-[4-[2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[2-[[1-(3-chloro-2-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-[[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]thio]acetyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C21H27ClN5O2S+ MolecularWeight: 448.98938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C21H26ClN5O2S/c1-15-17(22)3-2-4-18(15)27-8-7-23-21(27)30-14-20(29)26-11-9-25(10-12-26)13-19(28)24-16-5-6-16/h2-4,7-8,16H,5-6,9-14H2,1H3,(H,24,28)/p+1