(2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol Openeye Name: (2S)-1-(2-allylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-methyl-1-piperazin-4-iumyl)-3-(2-prop-2-enylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol Traditional Name: (2S)-1-(2-allylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=CC=CC=C2CC=C)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@@H](COC2=CC=CC=C2CC=C)O

InChI

InChI=1S/C17H26N2O2/c1-3-6-15-7-4-5-8-17(15)21-14-16(20)13-19-11-9-18(2)10-12-19/h3-5,7-8,16,20H,1,6,9-14H2,2H3/p+1/t16-/m0/s1