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

Systemtic Name: 2-[4-methyl-3-[(4-nitrophenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl 2-(3-methyl-1-adamantyl)ethanoate Openeye Name: 2-[4-methyl-3-[(4-nitrophenyl)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-[(4-nitrophenyl)methyl]-5-thiazol-3-iumyl]ethyl ester IUPAC Name: 2-[4-methyl-3-[(4-nitrophenyl)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-[4-methyl-3-(4-nitrobenzyl)thiazol-3-ium-5-yl]ethyl ester Formula: C26H33N2O4S+ MolecularWeight: 469.61622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N2O4S/c1-18-23(33-17-27(18)15-19-3-5-22(6-4-19)28(30)31)7-8-32-24(29)14-26-12-20-9-21(13-26)11-25(2,10-20)16-26/h3-6,17,20-21H,7-16H2,1-2H3/q+1