(2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol CAS Name: (2S)-1-(4-phenyl-1-piperazin-1-iumyl)-3-(2,3,6-trimethylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-phenylpiperazin-1-ium-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3)O)C

InChI

InChI=1S/C22H30N2O2/c1-17-9-10-18(2)22(19(17)3)26-16-21(25)15-23-11-13-24(14-12-23)20-7-5-4-6-8-20/h4-10,21,25H,11-16H2,1-3H3/p+1/t21-/m0/s1