2-[3-[(4-azanyl-2-methyl-pyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-(2-adamantyl)ethanoate

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-(2-adamantyl)ethanoate Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-1-ium-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl 2-(2-adamantyl)acetate CAS Name: 2-(2-adamantyl)acetic acid 2-[3-[(4-amino-2-methyl-5-pyrimidin-1-iumyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-(2-adamantyl)acetate Traditional Name: 2-(2-adamantyl)acetic acid 2-[3-[(4-amino-2-methyl-pyrimidin-1-ium-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester Formula: C24H34N4O2S+2 MolecularWeight: 442.61736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=C[NH+]=C(N=C2N)C)CCOC(=O)CC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=C(SC=[N+]1CC2=C[NH+]=C(N=C2N)C)CCOC(=O)CC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H33N4O2S/c1-14-22(31-13-28(14)12-20-11-26-15(2)27-24(20)25)3-4-30-23(29)10-21-18-6-16-5-17(8-18)9-19(21)7-16/h11,13,16-19,21H,3-10,12H2,1-2H3,(H2,25,26,27)/q+1/p+1