4-[1-[(2S)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-yl]phenol

Systemtic Name: 4-[1-[(2S)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-yl]phenol Openeye Name: 4-[1-[(2S)-3-(4-chlorophenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-yl]phenol CAS Name: 4-[1-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-piperidin-1-iumyl]phenol IUPAC Name: 4-[1-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-yl]phenol Traditional Name: 4-[1-[(2S)-3-(4-chlorophenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-yl]phenol Formula: C20H25ClNO3+ MolecularWeight: 362.8704

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=C(C=C2)O)CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1C[NH+](CCC1C2=CC=C(C=C2)O)C[C@@H](COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H24ClNO3/c21-17-3-7-20(8-4-17)25-14-19(24)13-22-11-9-16(10-12-22)15-1-5-18(23)6-2-15/h1-8,16,19,23-24H,9-14H2/p+1/t19-/m0/s1