(3S)-3-(phenylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3S)-3-(phenylmethyl)piperazin-4-ium-2-one Openeye Name: (3S)-3-benzylpiperazin-4-ium-2-one CAS Name: (3S)-3-(phenylmethyl)-2-piperazin-4-iumone IUPAC Name: (3S)-3-benzylpiperazin-4-ium-2-one Traditional Name: (3S)-3-benzylpiperazin-4-ium-2-one Formula: C11H15N2O+ MolecularWeight: 191.2496

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC2=CC=CC=C2

Isomeric SMILES

C1CNC(=O)[C@@H]([NH2+]1)CC2=CC=CC=C2

InChI

InChI=1S/C11H14N2O/c14-11-10(12-6-7-13-11)8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)/p+1/t10-/m0/s1