[3-[(1-adamantylcarbonylamino)methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [3-[(1-adamantylcarbonylamino)methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [3-[(adamantane-1-carbonylamino)methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [3-[[[1-adamantyl(oxo)methyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [3-[(adamantane-1-carbonylamino)methyl]phenyl]methyl-dimethylazanium Traditional Name: [3-[(adamantane-1-carbonylamino)methyl]benzyl]-dimethyl-ammonium Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O/c1-23(2)14-16-5-3-4-15(6-16)13-22-20(24)21-10-17-7-18(11-21)9-19(8-17)12-21/h3-6,17-19H,7-14H2,1-2H3,(H,22,24)/p+1