1-[(2,5-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C15H26N2O2+2 MolecularWeight: 266.37914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O2/c1-16-7-4-8-17(10-9-16)12-13-11-14(18-2)5-6-15(13)19-3/h5-6,11H,4,7-10,12H2,1-3H3/p+2