(2R)-1-(3-methylphenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-(3-methylphenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol Openeye Name: (2R)-1-(3-methylphenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2R)-1-(3-methylphenoxy)-3-(4-phenyl-1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2R)-1-(3-methylphenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol Traditional Name: (2R)-1-(3-methylphenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C20H28N2O2+2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[NH+]2CC[NH+](CC2)C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2/c1-17-6-5-9-20(14-17)24-16-19(23)15-21-10-12-22(13-11-21)18-7-3-2-4-8-18/h2-9,14,19,23H,10-13,15-16H2,1H3/p+2/t19-/m1/s1