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

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-17-19(15-18-7-3-2-4-8-18)25-22(24-17)29-16-21(28)27-13-11-26(12-14-27)20-9-5-6-10-23-20/h2-10H,11-16H2,1H3,(H,24,25)/p+1