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

Systemtic Name: 2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethyl 2-(1-adamantyl)ethanoate Openeye Name: 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl 2-(1-adamantyl)acetate CAS Name: 2-(1-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-(1-adamantyl)acetate Traditional Name: 2-(1-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)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

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