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

Systemtic Name: furan-3-yl-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Openeye Name: 3-furyl-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methanone CAS Name: 3-furanyl-[(3S)-3-[5-methyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]methanone IUPAC Name: furan-3-yl-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Traditional Name: 3-furyl-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylthio)pyrimidin-4-yl]piperidino]methanone Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-16-13-22-21(29-12-8-24-6-10-27-11-7-24)23-19(16)17-3-2-5-25(14-17)20(26)18-4-9-28-15-18/h4,9,13,15,17H,2-3,5-8,10-12,14H2,1H3/p+1/t17-/m0/s1