(2R)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: (2R)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-3-phenoxy-propan-2-ol Openeye Name: (2R)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-3-phenoxy-propan-2-ol CAS Name: (2R)-1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-3-phenoxy-2-propanol IUPAC Name: (2R)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-3-phenoxypropan-2-ol Traditional Name: (2R)-1-[4-(2,5-dimethoxybenzyl)piperazine-1,4-diium-1-yl]-3-phenoxy-propan-2-ol Formula: C22H32N2O4+2 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(COC3=CC=CC=C3)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)C[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C22H30N2O4/c1-26-21-8-9-22(27-2)18(14-21)15-23-10-12-24(13-11-23)16-19(25)17-28-20-6-4-3-5-7-20/h3-9,14,19,25H,10-13,15-17H2,1-2H3/p+2/t19-/m1/s1