2,6-dimethyl-1-(phenylmethyl)-4-(4,6,8-trimethylazulen-1-yl)pyridin-1-ium perchlorate

Systemtic Name: 2,6-dimethyl-1-(phenylmethyl)-4-(4,6,8-trimethylazulen-1-yl)pyridin-1-ium perchlorate Openeye Name: 1-benzyl-2,6-dimethyl-4-(4,6,8-trimethylazulen-1-yl)pyridin-1-ium perchlorate CAS Name: 2,6-dimethyl-1-(phenylmethyl)-4-(4,6,8-trimethyl-1-azulenyl)pyridin-1-ium perchlorate IUPAC Name: 1-benzyl-2,6-dimethyl-4-(4,6,8-trimethylazulen-1-yl)pyridin-1-ium perchlorate Traditional Name: 1-benzyl-2,6-dimethyl-4-(4,6,8-trimethylazulen-1-yl)pyridin-1-ium perchlorate Formula: C27H28ClNO4 MolecularWeight: 465.96852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N.ClHO4/c1-18-13-19(2)25-11-12-26(27(25)20(3)14-18)24-15-21(4)28(22(5)16-24)17-23-9-7-6-8-10-23;2-1(3,4)5/h6-16H,17H2,1-5H3;(H,2,3,4,5)/q+1;/p-1