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

Systemtic Name: 4-ethoxy-1,2,3-trimethyl-N-(phenylmethyl)cyclohepta[c]pyrrol-2-ium-8-amine perchlorate Openeye Name: N-benzyl-4-ethoxy-1,2,3-trimethyl-cyclohepta[c]pyrrol-2-ium-8-amine perchlorate CAS Name: 4-ethoxy-1,2,3-trimethyl-N-(phenylmethyl)-8-cyclohepta[c]pyrrol-2-iumamine perchlorate IUPAC Name: N-benzyl-4-ethoxy-1,2,3-trimethylcyclohepta[c]pyrrol-2-ium-8-amine perchlorate Traditional Name: benzyl-(4-ethoxy-1,2,3-trimethyl-cyclohepta[c]pyrrol-2-ium-8-yl)amine perchlorate Formula: C21H25ClN2O5 MolecularWeight: 420.8866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C2C1=C([N+](=C2C)C)C)NCC3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC1=CC=CC(=C2C1=C([N+](=C2C)C)C)NCC3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H24N2O.ClHO4/c1-5-24-19-13-9-12-18(22-14-17-10-7-6-8-11-17)20-15(2)23(4)16(3)21(19)20;2-1(3,4)5/h6-13H,5,14H2,1-4H3;(H,2,3,4,5)