(2S)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol CAS Name: (2S)-1-(4-methyl-1-piperazine-1,4-diiumyl)-3-(2,4,6-trimethylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(C[NH+]2CC[NH+](CC2)C)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OC[C@H](C[NH+]2CC[NH+](CC2)C)O)C

InChI

InChI=1S/C17H28N2O2/c1-13-9-14(2)17(15(3)10-13)21-12-16(20)11-19-7-5-18(4)6-8-19/h9-10,16,20H,5-8,11-12H2,1-4H3/p+2/t16-/m0/s1