1-(2,5-ditert-butylphenyl)-6-ethyl-7-aza-1-azoniabicyclo[4.1.0]hepta-2,4-diene

Systemtic Name: 1-(2,5-ditert-butylphenyl)-6-ethyl-7-aza-1-azoniabicyclo[4.1.0]hepta-2,4-diene Openeye Name: 1-(2,5-ditert-butylphenyl)-6-ethyl-7-aza-1-azoniabicyclo[4.1.0]hepta-2,4-diene CAS Name: 1-(2,5-ditert-butylphenyl)-6-ethyl-7-aza-1-azoniabicyclo[4.1.0]hepta-2,4-diene IUPAC Name: 1-(2,5-ditert-butylphenyl)-6-ethyl-7-aza-1-azoniabicyclo[4.1.0]hepta-2,4-diene Traditional Name: 1-(2,5-ditert-butylphenyl)-6-ethyl-7-aza-1-azoniabicyclo[4.1.0]hepta-2,4-diene Formula: C21H31N2+ MolecularWeight: 311.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCC12C=CC=C[N+]1(N2)C3=C(C=CC(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCC12C=CC=C[N+]1(N2)C3=C(C=CC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C21H31N2/c1-8-21-13-9-10-14-23(21,22-21)18-15-16(19(2,3)4)11-12-17(18)20(5,6)7/h9-15,22H,8H2,1-7H3/q+1