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

Systemtic Name: 4-[4-[(2S)-3-[(2-chlorophenyl)methoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxy-propyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[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=C(C=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O3/c21-20-4-2-1-3-16(20)14-26-15-19(25)13-22-9-11-23(12-10-22)17-5-7-18(24)8-6-17/h1-8,19,24-25H,9-15H2/p+1/t19-/m0/s1