[5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-phenethyl-azanium

Systemtic Name: [5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-phenethyl-azanium Openeye Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-methyl-phenethyl-ammonium CAS Name: [5-[(2-adamantylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-phenethylammonium IUPAC Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-methyl-phenethylazanium Traditional Name: [5-(2-adamantylmethylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-methyl-phenethyl-ammonium Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C27H35N3O2/c1-30(10-9-18-5-3-2-4-6-18)17-23-7-8-24(27(32)29-23)26(31)28-16-25-21-12-19-11-20(14-21)15-22(25)13-19/h2-8,19-22,25H,9-17H2,1H3,(H,28,31)(H,29,32)/p+1