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

Systemtic Name: furan-2-yl-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Openeye Name: 2-furyl-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methanone CAS Name: 2-furanyl-[(3S)-3-[5-methyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]methanone IUPAC Name: furan-2-yl-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Traditional Name: 2-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=CC=CO3)SCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC=CO3)SCC[NH+]4CCOCC4

InChI

InChI=1S/C21H28N4O3S/c1-16-14-22-21(29-13-9-24-7-11-27-12-8-24)23-19(16)17-4-2-6-25(15-17)20(26)18-5-3-10-28-18/h3,5,10,14,17H,2,4,6-9,11-13,15H2,1H3/p+1/t17-/m0/s1