1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: cyclopentyl-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]-piperonyl-ammonium Formula: C24H26NO5+ MolecularWeight: 408.46694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](CC3=CC4=C(C=C3)OCO4)C5CCCC5)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](CC3=CC4=C(C=C3)OCO4)C5CCCC5)O

InChI

InChI=1S/C24H25NO5/c1-15-20(26)8-7-19-17(11-23(27)30-24(15)19)13-25(18-4-2-3-5-18)12-16-6-9-21-22(10-16)29-14-28-21/h6-11,18,26H,2-5,12-14H2,1H3/p+1