1-[(2,3-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-o-veratryl-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/c1-16-8-5-9-17(11-10-16)12-13-6-4-7-14(18-2)15(13)19-3/h4,6-7H,5,8-12H2,1-3H3/p+2