2-[(2S)-1-methyl-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-methyl-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-(3-phenoxybenzyl)piperazin-1-ium-2-yl]ethanol Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2/c1-21-11-12-22(16-18(21)10-13-23)15-17-6-5-9-20(14-17)24-19-7-3-2-4-8-19/h2-9,14,18,23H,10-13,15-16H2,1H3/p+1/t18-/m0/s1