(2S)-1-(3-methoxyphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(3-methoxyphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(3-methoxyphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(3-methoxyphenoxy)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(3-methoxyphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(3-methoxyphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C19H27N3O3+2 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

Isomeric SMILES

COC1=CC(=CC=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

InChI

InChI=1S/C19H25N3O3/c1-24-17-5-4-6-18(13-17)25-15-16(23)14-21-9-11-22(12-10-21)19-7-2-3-8-20-19/h2-8,13,16,23H,9-12,14-15H2,1H3/p+2/t16-/m0/s1