3,5-ditert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium

Systemtic Name: 3,5-ditert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium Openeye Name: 3,5-ditert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium CAS Name: 3,5-ditert-butyl-2-(2,6-ditert-butyl-4-pyranylidene)pyrrol-1-ium IUPAC Name: 3,5-ditert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium Traditional Name: 3,5-ditert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium Formula: C25H40NO+ MolecularWeight: 370.5912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=[NH+]C1=C2C=C(OC(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=[NH+]C1=C2C=C(OC(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C25H39NO/c1-22(2,3)17-15-18(23(4,5)6)26-21(17)16-13-19(24(7,8)9)27-20(14-16)25(10,11)12/h13-15H,1-12H3/p+1