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

Systemtic Name: (2S)-1-(2-methylphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(2-methylphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2-methylphenoxy)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2-methylphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(2-methylphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C19H27N3O2+2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

InChI

InChI=1S/C19H25N3O2/c1-16-6-2-3-7-18(16)24-15-17(23)14-21-10-12-22(13-11-21)19-8-4-5-9-20-19/h2-9,17,23H,10-15H2,1H3/p+2/t17-/m0/s1