(2S)-1-[2-(2,6-dimethylphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[2-(2,6-dimethylphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[2-(2,6-dimethylphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[2-(2,6-dimethylphenoxy)ethoxy]-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-[2-(2,6-dimethylphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-[2-(2,6-dimethylphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C22H33N3O3+2 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCOCC(C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCOC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

InChI

InChI=1S/C22H31N3O3/c1-18-6-5-7-19(2)22(18)28-15-14-27-17-20(26)16-24-10-12-25(13-11-24)21-8-3-4-9-23-21/h3-9,20,26H,10-17H2,1-2H3/p+2/t20-/m0/s1