(2S)-1-(4-tert-butylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-tert-butylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-tert-butylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-tert-butylphenoxy)-3-(4-methyl-1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2S)-1-(4-tert-butylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-tert-butylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C18H32N2O2+2 MolecularWeight: 308.45888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2/c1-18(2,3)15-5-7-17(8-6-15)22-14-16(21)13-20-11-9-19(4)10-12-20/h5-8,16,21H,9-14H2,1-4H3/p+2/t16-/m0/s1