(2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-propan-2-yloxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-propan-2-yloxy-propan-2-ol Openeye Name: (2S)-1-isopropoxy-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-3-propan-2-yloxy-2-propanol IUPAC Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-propan-2-yloxypropan-2-ol Traditional Name: (2S)-1-isopropoxy-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C17H29N2O3+ MolecularWeight: 309.42376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(C[NH+]1CCN(CC1)C2=CC=C(C=C2)OC)O

Isomeric SMILES

CC(C)OC[C@H](C[NH+]1CCN(CC1)C2=CC=C(C=C2)OC)O

InChI

InChI=1S/C17H28N2O3/c1-14(2)22-13-16(20)12-18-8-10-19(11-9-18)15-4-6-17(21-3)7-5-15/h4-7,14,16,20H,8-13H2,1-3H3/p+1/t16-/m0/s1