(2S)-1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(2-tert-butyl-4-methylphenoxy)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2-tert-butyl-4-methylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C25H37N2O3+ MolecularWeight: 413.57288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3/c1-19-6-11-24(23(16-19)25(2,3)4)30-18-21(28)17-26-12-14-27(15-13-26)20-7-9-22(29-5)10-8-20/h6-11,16,21,28H,12-15,17-18H2,1-5H3/p+1/t21-/m0/s1