[5-(2-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [5-(2-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [5-(2-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-methyl-(2-thienylmethyl)ammonium CAS Name: [5-[(2-adamantylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [5-(2-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [5-(2-adamantylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-methyl-(2-thenyl)ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C(=O)N1)C(=O)NC2C3CC4CC(C3)CC2C4)CC5=CC=CS5

Isomeric SMILES

C[NH+](CC1=CC=C(C(=O)N1)C(=O)NC2C3CC4CC(C3)CC2C4)CC5=CC=CS5

InChI

InChI=1S/C23H29N3O2S/c1-26(13-19-3-2-6-29-19)12-18-4-5-20(22(27)24-18)23(28)25-21-16-8-14-7-15(10-16)11-17(21)9-14/h2-6,14-17,21H,7-13H2,1H3,(H,24,27)(H,25,28)/p+1