1-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-2-phenoxy-ethanone CAS Name: 1-[(3S)-3-[5-methyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]-2-phenoxyethanone IUPAC Name: 1-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone Traditional Name: 1-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylthio)pyrimidin-4-yl]piperidino]-2-phenoxy-ethanone Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)COC3=CC=CC=C3)SCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)COC3=CC=CC=C3)SCC[NH+]4CCOCC4

InChI

InChI=1S/C24H32N4O3S/c1-19-16-25-24(32-15-12-27-10-13-30-14-11-27)26-23(19)20-6-5-9-28(17-20)22(29)18-31-21-7-3-2-4-8-21/h2-4,7-8,16,20H,5-6,9-15,17-18H2,1H3/p+1/t20-/m0/s1