2-[(2S)-2-methylpiperazin-1-yl]benzoic acid

Systemtic Name: 2-[(2S)-2-methylpiperazin-1-yl]benzoic acid Openeye Name: 2-[(2S)-2-methylpiperazin-1-yl]benzoic acid CAS Name: 2-[(2S)-2-methyl-1-piperazinyl]benzoic acid IUPAC Name: 2-[(2S)-2-methylpiperazin-1-yl]benzoic acid Traditional Name: 2-[(2S)-2-methylpiperazino]benzoic acid Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1C2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@H]1CNCCN1C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H16N2O2/c1-9-8-13-6-7-14(9)11-5-3-2-4-10(11)12(15)16/h2-5,9,13H,6-8H2,1H3,(H,15,16)/t9-/m0/s1