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

Systemtic Name: 4,8-diethoxy-1,3-dimethyl-2-(oxolan-2-ylmethyl)cyclohepta[c]pyrrol-2-ium perchlorate Openeye Name: 4,8-diethoxy-1,3-dimethyl-2-(tetrahydrofuran-2-ylmethyl)cyclohepta[c]pyrrol-2-ium perchlorate CAS Name: 4,8-diethoxy-1,3-dimethyl-2-(2-oxolanylmethyl)cyclohepta[c]pyrrol-2-ium perchlorate IUPAC Name: 4,8-diethoxy-1,3-dimethyl-2-(oxolan-2-ylmethyl)cyclohepta[c]pyrrol-2-ium perchlorate Traditional Name: 4,8-diethoxy-1,3-dimethyl-2-(tetrahydrofurfuryl)cyclohepta[c]pyrrol-2-ium perchlorate Formula: C20H28ClNO7 MolecularWeight: 429.89182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=[N+](C(=C2C(=CC=C1)OCC)C)CC3CCCO3)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC1=C2C(=[N+](C(=C2C(=CC=C1)OCC)C)CC3CCCO3)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H28NO3.ClHO4/c1-5-22-17-10-7-11-18(23-6-2)20-15(4)21(14(3)19(17)20)13-16-9-8-12-24-16;2-1(3,4)5/h7,10-11,16H,5-6,8-9,12-13H2,1-4H3;(H,2,3,4,5)/q+1;/p-1