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

Systemtic Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(2-nitrophenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(2-nitrophenoxy)propan-2-ol CAS Name: (2S)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-(2-nitrophenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(2-nitrophenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(2-nitrophenoxy)propan-2-ol Formula: C19H23ClN3O4+ MolecularWeight: 392.85662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=CC=C2[N+](=O)[O-])O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=CC=C2[N+](=O)[O-])O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3O4/c20-15-4-3-5-16(12-15)22-10-8-21(9-11-22)13-17(24)14-27-19-7-2-1-6-18(19)23(25)26/h1-7,12,17,24H,8-11,13-14H2/p+1/t17-/m0/s1