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

Systemtic Name: 1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-(2,4,5-trimethoxybenzyl)-1,4-diazepane-1,4-diium Formula: C16H28N2O3+2 MolecularWeight: 296.40512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C16H26N2O3/c1-17-6-5-7-18(9-8-17)12-13-10-15(20-3)16(21-4)11-14(13)19-2/h10-11H,5-9,12H2,1-4H3/p+2