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

Systemtic Name: (2S)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol Openeye Name: (2S)-1-tert-butoxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-3-[(2-methylpropan-2-yl)oxy]-2-propanol IUPAC Name: (2S)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol Traditional Name: (2S)-1-tert-butoxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C18H31N2O3+ MolecularWeight: 323.45034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C[NH+]1CCN(CC1)C2=CC=CC=C2OC)O

Isomeric SMILES

CC(C)(C)OC[C@H](C[NH+]1CCN(CC1)C2=CC=CC=C2OC)O

InChI

InChI=1S/C18H30N2O3/c1-18(2,3)23-14-15(21)13-19-9-11-20(12-10-19)16-7-5-6-8-17(16)22-4/h5-8,15,21H,9-14H2,1-4H3/p+1/t15-/m0/s1