[3-(4-decoxyphenyl)isochromen-1-ylidene]-dimethyl-azanium

Systemtic Name: [3-(4-decoxyphenyl)isochromen-1-ylidene]-dimethyl-azanium Openeye Name: [3-(4-decoxyphenyl)isochromen-1-ylidene]-dimethyl-ammonium CAS Name: [3-(4-decoxyphenyl)-2-benzopyran-1-ylidene]-dimethylammonium IUPAC Name: [3-(4-decoxyphenyl)isochromen-1-ylidene]-dimethylazanium Traditional Name: [3-(4-decoxyphenyl)isochromen-1-ylidene]-dimethyl-ammonium Formula: C27H36NO2+ MolecularWeight: 406.58024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=[N+](C)C)O2

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=[N+](C)C)O2

InChI

InChI=1S/C27H36NO2/c1-4-5-6-7-8-9-10-13-20-29-24-18-16-22(17-19-24)26-21-23-14-11-12-15-25(23)27(30-26)28(2)3/h11-12,14-19,21H,4-10,13,20H2,1-3H3/q+1