2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(4-benzyl-5-methyl-1H-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=C(N=C(N1)SCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5OS/c1-18-21(15-19-5-3-2-4-6-19)26-23(25-18)30-17-22(29)28-13-11-27(12-14-28)16-20-7-9-24-10-8-20/h2-10H,11-17H2,1H3,(H,25,26)/p+1