1,3-benzodioxol-5-ylmethyl-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]azanium Traditional Name: [6-keto-3-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl-piperonyl-ammonium Formula: C21H21N2O4+ MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH2+]CC3=CC4=C(C=C3)OCO4)N1

Isomeric SMILES

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH2+]CC3=CC4=C(C=C3)OCO4)N1

InChI

InChI=1S/C21H20N2O4/c1-25-21-4-2-3-17(23-21)15-6-7-18(24)16(10-15)12-22-11-14-5-8-19-20(9-14)27-13-26-19/h2-10,22-23H,11-13H2,1H3/p+1