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

Systemtic Name: 4-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]butanoate Openeye Name: 4-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]butanoate CAS Name: 4-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]butanoate IUPAC Name: 4-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]butanoate Traditional Name: 4-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]butyrate Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-16-10-11-17(9-5-8-15(18)19)14(12-16)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,19)/p+1/t14-/m1/s1