(2S)-1-(3,5-dimethylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(3,5-dimethylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Openeye Name: (2S)-1-(3,5-dimethylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2S)-1-(3,5-dimethylphenoxy)-3-(4-methyl-1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2S)-1-(3,5-dimethylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Traditional Name: (2S)-1-(3,5-dimethylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-13-8-14(2)10-16(9-13)20-12-15(19)11-18-6-4-17(3)5-7-18/h8-10,15,19H,4-7,11-12H2,1-3H3/p+2/t15-/m0/s1