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

Systemtic Name: 4-ethoxy-1,3-dimethyl-N-(phenylmethyl)cyclohepta[c]pyrrol-2-ium-8-amine perchlorate Openeye Name: N-benzyl-4-ethoxy-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium-8-amine perchlorate CAS Name: 4-ethoxy-1,3-dimethyl-N-(phenylmethyl)-8-cyclohepta[c]pyrrol-2-iumamine perchlorate IUPAC Name: N-benzyl-4-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-2-ium-8-amine perchlorate Traditional Name: benzyl-(4-ethoxy-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium-8-yl)amine perchlorate Formula: C20H23ClN2O5 MolecularWeight: 406.86002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O.ClHO4/c1-4-23-18-12-8-11-17(19-14(2)22-15(3)20(18)19)21-13-16-9-6-5-7-10-16;2-1(3,4)5/h5-12,21H,4,13H2,1-3H3;(H,2,3,4,5)