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

Systemtic Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-2,6-dimethyl-1-propan-2-yl-pyridin-1-ium perchlorate Openeye Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-1-isopropyl-2,6-dimethyl-pyridin-1-ium perchlorate CAS Name: 4-(2-tert-butyl-6-methyl-1-azulenyl)-2,6-dimethyl-1-propan-2-ylpyridin-1-ium perchlorate IUPAC Name: 4-(2-tert-butyl-6-methylazulen-1-yl)-2,6-dimethyl-1-propan-2-ylpyridin-1-ium perchlorate Traditional Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-1-isopropyl-2,6-dimethyl-pyridin-1-ium perchlorate Formula: C25H32ClNO4 MolecularWeight: 445.97888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N.ClHO4/c1-16(2)26-18(4)13-21(14-19(26)5)24-22-12-10-17(3)9-11-20(22)15-23(24)25(6,7)8;2-1(3,4)5/h9-16H,1-8H3;(H,2,3,4,5)/q+1;/p-1