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

Systemtic Name: (4-ethoxy-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium-8-yl)-(phenylmethyl)azanium Openeye Name: benzyl-(4-ethoxy-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium-8-yl)ammonium CAS Name: (4-ethoxy-1,3-dimethyl-8-cyclohepta[c]pyrrol-2-iumyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-(4-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-2-ium-8-yl)azanium Traditional Name: benzyl-(4-ethoxy-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium-8-yl)ammonium Formula: C20H24N2O+2 MolecularWeight: 308.41736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C2C1=C([NH+]=C2C)C)[NH2+]CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC(=C2C1=C([NH+]=C2C)C)[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O/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/h5-12,21H,4,13H2,1-3H3/p+2