5-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]pentanoate

Systemtic Name: 5-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]pentanoate Openeye Name: 5-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]pentanoate CAS Name: 5-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]pentanoate IUPAC Name: 5-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]pentanoate Traditional Name: 5-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]valerate Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](C(C1)C2=CC=CC=C2)CCCCC(=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+]([C@H](C1)C2=CC=CC=C2)CCCCC(=O)[O-]

InChI

InChI=1S/C16H24N2O2/c1-17-11-12-18(10-6-5-9-16(19)20)15(13-17)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,19,20)/p+1/t15-/m1/s1