4-chloranyl-2-[[(3S)-3-(2-hydroxyethyl)-4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-chloranyl-2-[[(3S)-3-(2-hydroxyethyl)-4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-4-benzyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-chloro-phenol CAS Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-[[(3S)-4-benzyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-chlorophenol Traditional Name: 2-[[(3S)-4-benzyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-chloro-phenol Formula: C20H26ClN2O2+ MolecularWeight: 361.88564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=C(C=CC(=C2)Cl)O)CCO)CC3=CC=CC=C3

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=C(C=CC(=C2)Cl)O)CCO)CC3=CC=CC=C3

InChI

InChI=1S/C20H25ClN2O2/c21-18-6-7-20(25)17(12-18)14-22-9-10-23(19(15-22)8-11-24)13-16-4-2-1-3-5-16/h1-7,12,19,24-25H,8-11,13-15H2/p+1/t19-/m0/s1