(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-[(1-methylpyridin-4-ylidene)methyl]azanium perchlorate

Systemtic Name: (3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-[(1-methylpyridin-4-ylidene)methyl]azanium perchlorate Openeye Name: (3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-[(1-methyl-4-pyridylidene)methyl]ammonium perchlorate CAS Name: (3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-[(1-methyl-4-pyridinylidene)methyl]ammonium perchlorate IUPAC Name: (3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-[(1-methylpyridin-4-ylidene)methyl]azanium perchlorate Traditional Name: (3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-[(1-methyl-4-pyridylidene)methyl]ammonium perchlorate Formula: C21H29ClN2O5 MolecularWeight: 424.91836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=[NH+]C=C2C=CN(C=C2)C)C=C(C1=O)C(C)(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)C1=CC(=[NH+]C=C2C=CN(C=C2)C)C=C(C1=O)C(C)(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H28N2O.ClHO4/c1-20(2,3)17-12-16(13-18(19(17)24)21(4,5)6)22-14-15-8-10-23(7)11-9-15;2-1(3,4)5/h8-14H,1-7H3;(H,2,3,4,5)