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

Systemtic Name: 1-(2,5-ditert-butylphenyl)-6-ethyl-4,7-diaza-1-azoniabicyclo[4.1.0]hepta-2,4-diene Openeye Name: 1-(2,5-ditert-butylphenyl)-6-ethyl-4,7-diaza-1-azoniabicyclo[4.1.0]hepta-2,4-diene CAS Name: 1-(2,5-ditert-butylphenyl)-6-ethyl-4,7-diaza-1-azoniabicyclo[4.1.0]hepta-2,4-diene IUPAC Name: 1-(2,5-ditert-butylphenyl)-6-ethyl-4,7-diaza-1-azoniabicyclo[4.1.0]hepta-2,4-diene Traditional Name: 1-(2,5-ditert-butylphenyl)-6-ethyl-4,7-diaza-1-azoniabicyclo[4.1.0]hepta-2,4-diene Formula: C20H30N3+ MolecularWeight: 312.4723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N3/c1-8-20-14-21-11-12-23(20,22-20)17-13-15(18(2,3)4)9-10-16(17)19(5,6)7/h9-14,22H,8H2,1-7H3/q+1