1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane-1,4-diium dichloride

Systemtic Name: 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane-1,4-diium dichloride Openeye Name: 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane-1,4-diium dichloride CAS Name: 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane-1,4-diium dichloride IUPAC Name: 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane-1,4-diium dichloride Traditional Name: 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane-1,4-diium dichloride Formula: C17H30Cl2N2O3 MolecularWeight: 381.3377

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CCC2=CC(=C(C(=C2)OC)OC)OC.[Cl-].[Cl-]

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CCC2=CC(=C(C(=C2)OC)OC)OC.[Cl-].[Cl-]

InChI

InChI=1S/C17H28N2O3.2ClH/c1-18-7-5-8-19(11-10-18)9-6-14-12-15(20-2)17(22-4)16(13-14)21-3;;/h12-13H,5-11H2,1-4H3;2*1H