1-adamantylcarbonyl-azanyl-tert-butyl-(phenylcarbonyl)azanium

Systemtic Name: 1-adamantylcarbonyl-azanyl-tert-butyl-(phenylcarbonyl)azanium Openeye Name: adamantane-1-carbonyl-amino-benzoyl-tert-butyl-ammonium CAS Name: [1-adamantyl(oxo)methyl]-amino-benzoyl-tert-butylammonium IUPAC Name: adamantane-1-carbonyl-amino-benzoyl-tert-butylazanium Traditional Name: adamantane-1-carbonyl-amino-benzoyl-tert-butyl-ammonium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N2O2/c1-21(2,3)24(23,19(25)18-7-5-4-6-8-18)20(26)22-12-15-9-16(13-22)11-17(10-15)14-22/h4-8,15-17H,9-14,23H2,1-3H3/q+1