4,8-diethoxy-1,3-dimethyl-2-(4-methylphenyl)cyclohepta[c]pyrrol-2-ium perchlorate

Systemtic Name: 4,8-diethoxy-1,3-dimethyl-2-(4-methylphenyl)cyclohepta[c]pyrrol-2-ium perchlorate Openeye Name: 4,8-diethoxy-1,3-dimethyl-2-(p-tolyl)cyclohepta[c]pyrrol-2-ium perchlorate CAS Name: 4,8-diethoxy-1,3-dimethyl-2-(4-methylphenyl)cyclohepta[c]pyrrol-2-ium perchlorate IUPAC Name: 4,8-diethoxy-1,3-dimethyl-2-(4-methylphenyl)cyclohepta[c]pyrrol-2-ium perchlorate Traditional Name: 4,8-diethoxy-1,3-dimethyl-2-(p-tolyl)cyclohepta[c]pyrrol-2-ium perchlorate Formula: C22H26ClNO6 MolecularWeight: 435.89794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=[N+](C(=C2C(=CC=C1)OCC)C)C3=CC=C(C=C3)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC1=C2C(=[N+](C(=C2C(=CC=C1)OCC)C)C3=CC=C(C=C3)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H26NO2.ClHO4/c1-6-24-19-9-8-10-20(25-7-2)22-17(5)23(16(4)21(19)22)18-13-11-15(3)12-14-18;2-1(3,4)5/h8-14H,6-7H2,1-5H3;(H,2,3,4,5)/q+1;/p-1