1-butyl-4-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)-2,6-diphenyl-pyridin-1-ium perchlorate

Systemtic Name: 1-butyl-4-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)-2,6-diphenyl-pyridin-1-ium perchlorate Openeye Name: 1-butyl-4-(5-isopropyl-3,8-dimethyl-azulen-1-yl)-2,6-diphenyl-pyridin-1-ium perchlorate CAS Name: 1-butyl-4-(3,8-dimethyl-5-propan-2-yl-1-azulenyl)-2,6-diphenylpyridin-1-ium perchlorate IUPAC Name: 1-butyl-4-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2,6-diphenylpyridin-1-ium perchlorate Traditional Name: 1-butyl-4-(5-isopropyl-3,8-dimethyl-azulen-1-yl)-2,6-diphenyl-pyridin-1-ium perchlorate Formula: C36H38ClNO4 MolecularWeight: 584.14422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC(=C4C3=C(C=CC(=C4)C(C)C)C)C)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC(=C4C3=C(C=CC(=C4)C(C)C)C)C)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C36H38N.ClHO4/c1-6-7-20-37-34(28-14-10-8-11-15-28)23-31(24-35(37)29-16-12-9-13-17-29)33-21-27(5)32-22-30(25(2)3)19-18-26(4)36(32)33;2-1(3,4)5/h8-19,21-25H,6-7,20H2,1-5H3;(H,2,3,4,5)/q+1;/p-1