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

Systemtic Name: (2S)-1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(2-tert-butyl-4-methylphenoxy)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2-tert-butyl-4-methylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C24H34ClN2O2+ MolecularWeight: 417.99196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33ClN2O2/c1-18-8-9-23(22(14-18)24(2,3)4)29-17-21(28)16-26-10-12-27(13-11-26)20-7-5-6-19(25)15-20/h5-9,14-15,21,28H,10-13,16-17H2,1-4H3/p+1/t21-/m0/s1