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

Systemtic Name: (2S)-1-(3-methylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Openeye Name: (2S)-1-(3-methylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2S)-1-(3-methylphenoxy)-3-(4-methyl-1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2S)-1-(3-methylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Traditional Name: (2S)-1-(3-methylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C15H26N2O2+2 MolecularWeight: 266.37914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O2/c1-13-4-3-5-15(10-13)19-12-14(18)11-17-8-6-16(2)7-9-17/h3-5,10,14,18H,6-9,11-12H2,1-2H3/p+2/t14-/m0/s1