1,3-benzodioxol-5-ylmethyl-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(7-ethyl-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: (7-ethyl-2-keto-chromen-4-yl)methyl-methyl-piperonyl-ammonium Formula: C21H22NO4+ MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO4/c1-3-14-4-6-17-16(10-21(23)26-19(17)8-14)12-22(2)11-15-5-7-18-20(9-15)25-13-24-18/h4-10H,3,11-13H2,1-2H3/p+1