(2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-(2,5-dimethoxybenzyl)oxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)COCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)COC[C@@H](C[NH+]2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H30N2O4/c1-26-21-8-9-22(27-2)18(14-21)16-28-17-20(25)15-23-10-12-24(13-11-23)19-6-4-3-5-7-19/h3-9,14,20,25H,10-13,15-17H2,1-2H3/p+1/t20-/m1/s1