2-[(2S)-1-methyl-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-methyl-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-allyloxyphenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[(2-prop-2-enoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-allyloxybenzyl)-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC=CC=C2OCC=C

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=CC=C2OCC=C

InChI

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