(2R)-1-[2-(2-propan-2-ylphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol

Systemtic Name: (2R)-1-[2-(2-propan-2-ylphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2R)-1-[2-(2-isopropylphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol CAS Name: (2R)-1-[2-(2-propan-2-ylphenoxy)ethoxy]-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propanol IUPAC Name: (2R)-1-[2-(2-propan-2-ylphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2R)-1-[2-(2-isopropylphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazino)propan-2-ol Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCCOCC(CN2CCN(CC2)C3=CC=CC=[NH+]3)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OCCOC[C@@H](CN2CCN(CC2)C3=CC=CC=[NH+]3)O

InChI

InChI=1S/C23H33N3O3/c1-19(2)21-7-3-4-8-22(21)29-16-15-28-18-20(27)17-25-11-13-26(14-12-25)23-9-5-6-10-24-23/h3-10,19-20,27H,11-18H2,1-2H3/p+1/t20-/m1/s1