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

Systemtic Name: [4-[(2S)-2-oxidanyl-3-phenylmethoxy-propyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(2S)-3-benzyloxy-2-hydroxy-propyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(2S)-3-benzoxy-2-hydroxy-propyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCC2=CC=CC=C2)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COCC2=CC=CC=C2)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3/c24-20(17-26-16-18-7-3-1-4-8-18)15-22-11-13-23(14-12-22)21(25)19-9-5-2-6-10-19/h1-10,20,24H,11-17H2/p+1/t20-/m0/s1