2-[4-[(2S)-3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(2S)-3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]phenol Formula: C23H32ClN2O3+ MolecularWeight: 419.96478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3O)O

InChI

InChI=1S/C23H31ClN2O3/c1-16(2)19-13-20(24)17(3)12-23(19)29-15-18(27)14-25-8-10-26(11-9-25)21-6-4-5-7-22(21)28/h4-7,12-13,16,18,27-28H,8-11,14-15H2,1-3H3/p+1/t18-/m0/s1