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

Systemtic Name: 2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethyl 2-(2-adamantyl)ethanoate Openeye Name: 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl 2-(2-adamantyl)acetate CAS Name: 2-(2-adamantyl)acetic acid 2-[4-methyl-3-(phenylmethyl)-5-thiazol-3-iumyl]ethyl ester IUPAC Name: 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl 2-(2-adamantyl)acetate Traditional Name: 2-(2-adamantyl)acetic acid 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl ester Formula: C25H32NO2S+ MolecularWeight: 410.59208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)CC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)CC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C25H32NO2S/c1-17-24(29-16-26(17)15-18-5-3-2-4-6-18)7-8-28-25(27)14-23-21-10-19-9-20(12-21)13-22(23)11-19/h2-6,16,19-23H,7-15H2,1H3/q+1