(2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol CAS Name: (2S)-1-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-3-(5-methyl-2-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol Formula: C24H34ClN2O2+ MolecularWeight: 417.99196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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