(2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]-3-(3-methoxyphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol Formula: C16H28N2O4+2 MolecularWeight: 312.40452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC(C[NH+]2CC[NH+](CC2)CCO)O

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O4/c1-21-15-3-2-4-16(11-15)22-13-14(20)12-18-7-5-17(6-8-18)9-10-19/h2-4,11,14,19-20H,5-10,12-13H2,1H3/p+2/t14-/m0/s1