2-[3-[(4-azanyl-2-methyl-pyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl adamantane-1-carboxylate dichloride

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl adamantane-1-carboxylate dichloride Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-1-ium-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl adamantane-1-carboxylate dichloride CAS Name: 1-adamantanecarboxylic acid 2-[3-[(4-amino-2-methyl-5-pyrimidin-1-iumyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester dichloride IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl adamantane-1-carboxylate dichloride Traditional Name: adamantane-1-carboxylic acid 2-[3-[(4-amino-2-methyl-pyrimidin-1-ium-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester dichloride Formula: C23H32Cl2N4O2S MolecularWeight: 499.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=C[NH+]=C(N=C2N)C)CCOC(=O)C34CC5CC(C3)CC(C5)C4.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CC2=C[NH+]=C(N=C2N)C)CCOC(=O)C34CC5CC(C3)CC(C5)C4.[Cl-].[Cl-]

InChI

InChI=1S/C23H31N4O2S.2ClH/c1-14-20(30-13-27(14)12-19-11-25-15(2)26-21(19)24)3-4-29-22(28)23-8-16-5-17(9-23)7-18(6-16)10-23;;/h11,13,16-18H,3-10,12H2,1-2H3,(H2,24,25,26);2*1H/q+1;;/p-1