4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(4-diazo-1-phenyl-piperidin-1-ium-1-yl)butan-1-one

Systemtic Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(4-diazo-1-phenyl-piperidin-1-ium-1-yl)butan-1-one Openeye Name: 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-(4-diazo-1-phenyl-piperidin-1-ium-1-yl)butan-1-one CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(4-diazo-1-phenyl-1-piperidin-1-iumyl)-1-butanone IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(4-diazo-1-phenylpiperidin-1-ium-1-yl)butan-1-one Traditional Name: 4-(2,4-ditert-amylphenoxy)-1-(4-diazo-1-phenyl-piperidin-1-ium-1-yl)butan-1-one Formula: C31H44N3O2+ MolecularWeight: 490.69996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)[N+]2(CCC(=[N+]=[N-])CC2)C3=CC=CC=C3)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)[N+]2(CCC(=[N+]=[N-])CC2)C3=CC=CC=C3)C(C)(C)CC

InChI

InChI=1S/C31H44N3O2/c1-7-30(3,4)24-16-17-28(27(23-24)31(5,6)8-2)36-22-12-15-29(35)34(26-13-10-9-11-14-26)20-18-25(33-32)19-21-34/h9-11,13-14,16-17,23H,7-8,12,15,18-22H2,1-6H3/q+1