2,2-dimethyl-6-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]carbonyl-3H-pyran-4-one

Systemtic Name: 2,2-dimethyl-6-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]carbonyl-3H-pyran-4-one Openeye Name: 2,2-dimethyl-6-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]-3H-pyran-4-one CAS Name: 2,2-dimethyl-6-[[(3S)-3-[5-methyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]-oxomethyl]-3H-pyran-4-one IUPAC Name: 2,2-dimethyl-6-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]-3H-pyran-4-one Traditional Name: 2,2-dimethyl-6-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylthio)pyrimidin-4-yl]piperidine-1-carbonyl]-3H-pyran-4-one Formula: C24H35N4O4S+ MolecularWeight: 475.6241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC(=O)CC(O3)(C)C)SCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC(=O)CC(O3)(C)C)SCC[NH+]4CCOCC4

InChI

InChI=1S/C24H34N4O4S/c1-17-15-25-23(33-12-9-27-7-10-31-11-8-27)26-21(17)18-5-4-6-28(16-18)22(30)20-13-19(29)14-24(2,3)32-20/h13,15,18H,4-12,14,16H2,1-3H3/p+1/t18-/m0/s1