2-[3-[(4-azanyl-2-methyl-pyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-(1-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-(1-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-(1-adamantyl)acetate CAS Name: 2-(1-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-(1-adamantyl)acetate Traditional Name: 2-(1-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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=C[NH+]=C(N=C2N)C)CCOC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(SC=[N+]1CC2=C[NH+]=C(N=C2N)C)CCOC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33N4O2S/c1-15-21(31-14-28(15)13-20-12-26-16(2)27-23(20)25)3-4-30-22(29)11-24-8-17-5-18(9-24)7-19(6-17)10-24/h12,14,17-19H,3-11,13H2,1-2H3,(H2,25,26,27)/q+1/p+1