2-[4-[(2S)-3-[(2-chlorophenyl)methoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(2S)-3-[(2-chlorophenyl)methoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxy-propyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(2S)-3-(2-chlorobenzyl)oxy-2-hydroxy-propyl]piperazin-4-ium-1-yl]phenol Formula: C20H26ClN2O3+ MolecularWeight: 377.88504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCC2=CC=CC=C2Cl)O)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COCC2=CC=CC=C2Cl)O)C3=CC=CC=C3O

InChI

InChI=1S/C20H25ClN2O3/c21-18-6-2-1-5-16(18)14-26-15-17(24)13-22-9-11-23(12-10-22)19-7-3-4-8-20(19)25/h1-8,17,24-25H,9-15H2/p+1/t17-/m0/s1