(2S)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: (2S)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenoxy-propan-2-ol Openeye Name: (2S)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenoxy-propan-2-ol CAS Name: (2S)-1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-phenoxy-2-propanol IUPAC Name: (2S)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenoxypropan-2-ol Traditional Name: (2S)-1-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-3-phenoxy-propan-2-ol Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(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+1/t19-/m0/s1