1-(4-methylphenyl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-4H-imidazol-5-one

Systemtic Name: 1-(4-methylphenyl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-4H-imidazol-5-one Openeye Name: 2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1-(p-tolyl)-4H-imidazol-5-one CAS Name: 1-(4-methylphenyl)-2-[[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]thio]-4H-imidazol-5-one IUPAC Name: 1-(4-methylphenyl)-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-4H-imidazol-5-one Traditional Name: 2-[[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thio]-3-(p-tolyl)-2-imidazolin-4-one Formula: C21H24N5O2S+ MolecularWeight: 410.51256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)CN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H23N5O2S/c1-16-5-7-17(8-6-16)26-19(27)14-23-21(26)29-15-20(28)25-12-10-24(11-13-25)18-4-2-3-9-22-18/h2-9H,10-15H2,1H3/p+1