[4-[(1-adamantylcarbonylamino)methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[(1-adamantylcarbonylamino)methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[(adamantane-1-carbonylamino)methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[1-adamantyl(oxo)methyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[(adamantane-1-carbonylamino)methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[(adamantane-1-carbonylamino)methyl]benzyl]-diethyl-ammonium Formula: C23H35N2O+ MolecularWeight: 355.5368

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H34N2O/c1-3-25(4-2)16-18-7-5-17(6-8-18)15-24-22(26)23-12-19-9-20(13-23)11-21(10-19)14-23/h5-8,19-21H,3-4,9-16H2,1-2H3,(H,24,26)/p+1