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

Systemtic Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol Openeye Name: (2S)-1-tert-butoxy-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-3-[(2-methylpropan-2-yl)oxy]-2-propanol IUPAC Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol Traditional Name: (2S)-1-tert-butoxy-3-[4-(4-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=C(C=C2)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O3/c1-18(2,3)23-14-16(21)13-19-9-11-20(12-10-19)15-5-7-17(22-4)8-6-15/h5-8,16,21H,9-14H2,1-4H3/p+1/t16-/m0/s1