[(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]ammonium Formula: C15H28N3O2+3 MolecularWeight: 282.40172

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(C[NH3+])C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](C[NH3+])C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C15H25N3O2/c1-17-6-8-18(9-7-17)13(11-16)12-4-5-14(19-2)15(10-12)20-3/h4-5,10,13H,6-9,11,16H2,1-3H3/p+3/t13-/m1/s1