(4S)-4-methyl-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one

Systemtic Name: (4S)-4-methyl-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one Openeye Name: (4S)-4-methyl-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one CAS Name: (4S)-4-methyl-2-[[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]thio]-4,5-dihydro-1H-pyrimidin-6-one IUPAC Name: (4S)-4-methyl-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one Traditional Name: (4S)-2-[[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thio]-4-methyl-4,5-dihydro-1H-pyrimidin-6-one Formula: C16H22N5O2S+ MolecularWeight: 348.44318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H]1CC(=O)NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H21N5O2S/c1-12-10-14(22)19-16(18-12)24-11-15(23)21-8-6-20(7-9-21)13-4-2-3-5-17-13/h2-5,12H,6-11H2,1H3,(H,18,19,22)/p+1/t12-/m0/s1