4-(2-tert-butyl-6-methyl-azulen-1-yl)-2,6-dimethyl-1-(phenylmethyl)pyridin-1-ium perchlorate

Systemtic Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-2,6-dimethyl-1-(phenylmethyl)pyridin-1-ium perchlorate Openeye Name: 1-benzyl-4-(2-tert-butyl-6-methyl-azulen-1-yl)-2,6-dimethyl-pyridin-1-ium perchlorate CAS Name: 4-(2-tert-butyl-6-methyl-1-azulenyl)-2,6-dimethyl-1-(phenylmethyl)pyridin-1-ium perchlorate IUPAC Name: 1-benzyl-4-(2-tert-butyl-6-methylazulen-1-yl)-2,6-dimethylpyridin-1-ium perchlorate Traditional Name: 1-benzyl-4-(2-tert-butyl-6-methyl-azulen-1-yl)-2,6-dimethyl-pyridin-1-ium perchlorate Formula: C29H32ClNO4 MolecularWeight: 494.02168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C2C(=CC(=C2C3=CC(=[N+](C(=C3)C)CC4=CC=CC=C4)C)C(C)(C)C)C=C1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C2C(=CC(=C2C3=CC(=[N+](C(=C3)C)CC4=CC=CC=C4)C)C(C)(C)C)C=C1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C29H32N.ClHO4/c1-20-12-14-24-18-27(29(4,5)6)28(26(24)15-13-20)25-16-21(2)30(22(3)17-25)19-23-10-8-7-9-11-23;2-1(3,4)5/h7-18H,19H2,1-6H3;(H,2,3,4,5)/q+1;/p-1