4-ethoxy-2-(4-methoxyphenyl)-1,3-dimethyl-N-(phenylmethyl)cyclohepta[c]pyrrol-2-ium-8-amine perchlorate

Systemtic Name: 4-ethoxy-2-(4-methoxyphenyl)-1,3-dimethyl-N-(phenylmethyl)cyclohepta[c]pyrrol-2-ium-8-amine perchlorate Openeye Name: N-benzyl-4-ethoxy-2-(4-methoxyphenyl)-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium-8-amine perchlorate CAS Name: 4-ethoxy-2-(4-methoxyphenyl)-1,3-dimethyl-N-(phenylmethyl)-8-cyclohepta[c]pyrrol-2-iumamine perchlorate IUPAC Name: N-benzyl-4-ethoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrol-2-ium-8-amine perchlorate Traditional Name: benzyl-[4-ethoxy-2-(4-methoxyphenyl)-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium-8-yl]amine perchlorate Formula: C27H29ClN2O6 MolecularWeight: 512.98196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C2C1=C([N+](=C2C)C3=CC=C(C=C3)OC)C)NCC4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC1=CC=CC(=C2C1=C([N+](=C2C)C3=CC=C(C=C3)OC)C)NCC4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C27H28N2O2.ClHO4/c1-5-31-25-13-9-12-24(28-18-21-10-7-6-8-11-21)26-19(2)29(20(3)27(25)26)22-14-16-23(30-4)17-15-22;2-1(3,4)5/h6-17H,5,18H2,1-4H3;(H,2,3,4,5)