[5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-(1,3-thiazol-4-ylmethyl)azanium

Systemtic Name: [5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-(1,3-thiazol-4-ylmethyl)azanium Openeye Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-methyl-(thiazol-4-ylmethyl)ammonium CAS Name: [5-[(2-adamantylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-(4-thiazolylmethyl)ammonium IUPAC Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-methyl-(1,3-thiazol-4-ylmethyl)azanium Traditional Name: [5-(2-adamantylmethylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-methyl-(thiazol-4-ylmethyl)ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C(=O)N1)C(=O)NCC2C3CC4CC(C3)CC2C4)CC5=CSC=N5

Isomeric SMILES

C[NH+](CC1=CC=C(C(=O)N1)C(=O)NCC2C3CC4CC(C3)CC2C4)CC5=CSC=N5

InChI

InChI=1S/C23H30N4O2S/c1-27(11-19-12-30-13-25-19)10-18-2-3-20(23(29)26-18)22(28)24-9-21-16-5-14-4-15(7-16)8-17(21)6-14/h2-3,12-17,21H,4-11H2,1H3,(H,24,28)(H,26,29)/p+1