2-(1-adamantyl)ethyl-methyl-pentyl-(3-pyridin-4-ylpropoxycarbonyl)azanium

Systemtic Name: 2-(1-adamantyl)ethyl-methyl-pentyl-(3-pyridin-4-ylpropoxycarbonyl)azanium Openeye Name: 2-(1-adamantyl)ethyl-methyl-pentyl-[3-(4-pyridyl)propoxycarbonyl]ammonium CAS Name: 2-(1-adamantyl)ethyl-methyl-[oxo(3-pyridin-4-ylpropoxy)methyl]-pentylammonium IUPAC Name: 2-(1-adamantyl)ethyl-methyl-pentyl-(3-pyridin-4-ylpropoxycarbonyl)azanium Traditional Name: 2-(1-adamantyl)ethyl-amyl-methyl-[3-(4-pyridyl)propoxycarbonyl]ammonium Formula: C27H43N2O2+ MolecularWeight: 427.64252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](C)(CCC12CC3CC(C1)CC(C3)C2)C(=O)OCCCC4=CC=NC=C4

Isomeric SMILES

CCCCC[N+](C)(CCC12CC3CC(C1)CC(C3)C2)C(=O)OCCCC4=CC=NC=C4

InChI

InChI=1S/C27H43N2O2/c1-3-4-5-13-29(2,26(30)31-15-6-7-22-8-11-28-12-9-22)14-10-27-19-23-16-24(20-27)18-25(17-23)21-27/h8-9,11-12,23-25H,3-7,10,13-21H2,1-2H3/q+1