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

Systemtic Name: (2R)-1-[2-(3-methoxyphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2R)-1-[2-(3-methoxyphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol CAS Name: (2R)-1-[2-(3-methoxyphenoxy)ethoxy]-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propanol IUPAC Name: (2R)-1-[2-(3-methoxyphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2R)-1-[2-(3-methoxyphenoxy)ethoxy]-3-(4-pyridin-1-ium-2-ylpiperazino)propan-2-ol Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCCOCC(CN2CCN(CC2)C3=CC=CC=[NH+]3)O

Isomeric SMILES

COC1=CC(=CC=C1)OCCOC[C@@H](CN2CCN(CC2)C3=CC=CC=[NH+]3)O

InChI

InChI=1S/C21H29N3O4/c1-26-19-5-4-6-20(15-19)28-14-13-27-17-18(25)16-23-9-11-24(12-10-23)21-7-2-3-8-22-21/h2-8,15,18,25H,9-14,16-17H2,1H3/p+1/t18-/m1/s1