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

Systemtic Name: (2S)-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-3-phenoxy-propan-2-ol Openeye Name: (2S)-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-3-phenoxy-propan-2-ol CAS Name: (2S)-1-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-3-phenoxy-2-propanol IUPAC Name: (2S)-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-3-phenoxypropan-2-ol Traditional Name: (2S)-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-3-phenoxy-propan-2-ol Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4/c23-18(15-26-19-4-2-1-3-5-19)14-20-10-12-21(13-11-20)16-6-8-17(9-7-16)22(24)25/h1-9,18,23H,10-15H2/p+1/t18-/m0/s1