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

Systemtic Name: 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-(2,3,4-trimethoxybenzyl)-1,4-diazepane-1,4-diium Formula: C16H28N2O3+2 MolecularWeight: 296.40512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-17-8-5-9-18(11-10-17)12-13-6-7-14(19-2)16(21-4)15(13)20-3/h6-7H,5,8-12H2,1-4H3/p+2