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

Systemtic Name: 4,8-diethoxy-1,3-dimethyl-2-(phenylmethyl)cyclohepta[c]pyrrol-2-ium Openeye Name: 2-benzyl-4,8-diethoxy-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium CAS Name: 4,8-diethoxy-1,3-dimethyl-2-(phenylmethyl)cyclohepta[c]pyrrol-2-ium IUPAC Name: 2-benzyl-4,8-diethoxy-1,3-dimethylcyclohepta[c]pyrrol-2-ium Traditional Name: 2-benzyl-4,8-diethoxy-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium Formula: C22H26NO2+ MolecularWeight: 336.44734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=[N+](C(=C2C(=CC=C1)OCC)C)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=C2C(=[N+](C(=C2C(=CC=C1)OCC)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H26NO2/c1-5-24-19-13-10-14-20(25-6-2)22-17(4)23(16(3)21(19)22)15-18-11-8-7-9-12-18/h7-14H,5-6,15H2,1-4H3/q+1