(2S)-2-(2,5-dimethoxyphenyl)-1-methyl-piperazine-1,4-diium

Systemtic Name: (2S)-2-(2,5-dimethoxyphenyl)-1-methyl-piperazine-1,4-diium Openeye Name: (2S)-2-(2,5-dimethoxyphenyl)-1-methyl-piperazine-1,4-diium CAS Name: (2S)-2-(2,5-dimethoxyphenyl)-1-methylpiperazine-1,4-diium IUPAC Name: (2S)-2-(2,5-dimethoxyphenyl)-1-methylpiperazine-1,4-diium Traditional Name: (2S)-2-(2,5-dimethoxyphenyl)-1-methyl-piperazine-1,4-diium Formula: C13H22N2O2+2 MolecularWeight: 238.32598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH2+]CC1C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

C[NH+]1CC[NH2+]C[C@@H]1C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C13H20N2O2/c1-15-7-6-14-9-12(15)11-8-10(16-2)4-5-13(11)17-3/h4-5,8,12,14H,6-7,9H2,1-3H3/p+2/t12-/m1/s1