(4-nitrophenyl)methylidene-[(3,5,7-trimethyl-1-adamantyl)methyl]azanium

Systemtic Name: (4-nitrophenyl)methylidene-[(3,5,7-trimethyl-1-adamantyl)methyl]azanium Openeye Name: (4-nitrophenyl)methylene-[(3,5,7-trimethyl-1-adamantyl)methyl]ammonium CAS Name: (4-nitrophenyl)methylidene-[(3,5,7-trimethyl-1-adamantyl)methyl]ammonium IUPAC Name: (4-nitrophenyl)methylidene-[(3,5,7-trimethyl-1-adamantyl)methyl]azanium Traditional Name: (4-nitrobenzylidene)-[(3,5,7-trimethyl-1-adamantyl)methyl]ammonium Formula: C21H29N2O2+ MolecularWeight: 341.46716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)C[NH+]=CC4=CC=C(C=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)C[NH+]=CC4=CC=C(C=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H28N2O2/c1-18-9-19(2)11-20(3,10-18)14-21(12-18,13-19)15-22-8-16-4-6-17(7-5-16)23(24)25/h4-8H,9-15H2,1-3H3/p+1