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

Systemtic Name: 2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethyl 2-(3-methyl-1-adamantyl)ethanoate Openeye Name: 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl 2-(3-methyl-1-adamantyl)acetate CAS Name: 2-(3-methyl-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-(3-methyl-1-adamantyl)acetate Traditional Name: 2-(3-methyl-1-adamantyl)acetic acid 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl ester Formula: C26H34NO2S+ MolecularWeight: 424.61866

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H34NO2S/c1-19-23(30-18-27(19)16-20-6-4-3-5-7-20)8-9-29-24(28)15-26-13-21-10-22(14-26)12-25(2,11-21)17-26/h3-7,18,21-22H,8-17H2,1-2H3/q+1