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

Systemtic Name: 4,8-diethoxy-2-(3-methoxyphenyl)-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium perchlorate Openeye Name: 4,8-diethoxy-2-(3-methoxyphenyl)-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium perchlorate CAS Name: 4,8-diethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-2-ium perchlorate IUPAC Name: 4,8-diethoxy-2-(3-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-2-ium perchlorate Traditional Name: 4,8-diethoxy-2-(3-methoxyphenyl)-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium perchlorate Formula: C22H26ClNO7 MolecularWeight: 451.89734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26NO3.ClHO4/c1-6-25-19-12-9-13-20(26-7-2)22-16(4)23(15(3)21(19)22)17-10-8-11-18(14-17)24-5;2-1(3,4)5/h8-14H,6-7H2,1-5H3;(H,2,3,4,5)/q+1;/p-1