1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methyl-1,4-diazepane-1,4-diium Formula: C15H24N2O3+2 MolecularWeight: 280.36266

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC3=C(C(=C2)OC)OCO3

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC3=C(C(=C2)OC)OCO3

InChI

InChI=1S/C15H22N2O3/c1-16-4-3-5-17(7-6-16)10-12-8-13(18-2)15-14(9-12)19-11-20-15/h8-9H,3-7,10-11H2,1-2H3/p+2