1-[(3,5-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(3,5-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=CC(=CC(=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O2/c1-16-5-4-6-17(8-7-16)12-13-9-14(18-2)11-15(10-13)19-3/h9-11H,4-8,12H2,1-3H3/p+2