[4-[(2S)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(2S)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(2S)-2-hydroxy-3-phenoxypropyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3/c23-18(16-25-19-9-5-2-6-10-19)15-21-11-13-22(14-12-21)20(24)17-7-3-1-4-8-17/h1-10,18,23H,11-16H2/p+1/t18-/m0/s1