(2S)-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: (2S)-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenoxy-propan-2-ol Openeye Name: (2S)-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenoxy-propan-2-ol CAS Name: (2S)-1-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-phenoxy-2-propanol IUPAC Name: (2S)-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenoxypropan-2-ol Traditional Name: (2S)-1-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-3-phenoxy-propan-2-ol Formula: C20H26ClN2O2+ MolecularWeight: 361.88564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)CC(COC3=CC=CC=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C[C@@H](COC3=CC=CC=C3)O

InChI

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