[3-(1-adamantyl)-3-oxidanylidene-1-pyridin-3-yl-propyl]-diethyl-phenyl-azanium

Systemtic Name: [3-(1-adamantyl)-3-oxidanylidene-1-pyridin-3-yl-propyl]-diethyl-phenyl-azanium Openeye Name: [3-(1-adamantyl)-3-oxo-1-(3-pyridyl)propyl]-diethyl-phenyl-ammonium CAS Name: [3-(1-adamantyl)-3-oxo-1-(3-pyridinyl)propyl]-diethyl-phenylammonium IUPAC Name: [3-(1-adamantyl)-3-oxo-1-pyridin-3-ylpropyl]-diethyl-phenylazanium Traditional Name: [3-(1-adamantyl)-3-keto-1-(3-pyridyl)propyl]-diethyl-phenyl-ammonium Formula: C28H37N2O+ MolecularWeight: 417.60618

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(C1=CC=CC=C1)C(CC(=O)C23CC4CC(C2)CC(C4)C3)C5=CN=CC=C5

Isomeric SMILES

CC[N+](CC)(C1=CC=CC=C1)C(CC(=O)C23CC4CC(C2)CC(C4)C3)C5=CN=CC=C5

InChI

InChI=1S/C28H37N2O/c1-3-30(4-2,25-10-6-5-7-11-25)26(24-9-8-12-29-20-24)16-27(31)28-17-21-13-22(18-28)15-23(14-21)19-28/h5-12,20-23,26H,3-4,13-19H2,1-2H3/q+1