2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4)C

InChI

InChI=1S/C23H27N5OS/c1-18-13-19(2)15-21(14-18)28-8-7-25-23(28)30-17-22(29)27-11-9-26(10-12-27)16-20-3-5-24-6-4-20/h3-8,13-15H,9-12,16-17H2,1-2H3/p+1