1,3-benzodioxol-5-ylmethyl-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl-methyl-piperonyl-ammonium Formula: C21H21ClNO4+ MolecularWeight: 386.84874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](C)CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](C)CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C21H20ClNO4/c1-3-14-7-19-16(9-17(14)22)15(8-21(24)27-19)11-23(2)10-13-4-5-18-20(6-13)26-12-25-18/h4-9H,3,10-12H2,1-2H3/p+1