(2S)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-ethylphenoxy)-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H28N2O2/c1-2-18-8-10-21(11-9-18)25-17-20(24)16-22-12-14-23(15-13-22)19-6-4-3-5-7-19/h3-11,20,24H,2,12-17H2,1H3/p+1/t20-/m0/s1