4-[(3S)-3-methylpiperazin-1-yl]benzoic acid

Systemtic Name: 4-[(3S)-3-methylpiperazin-1-yl]benzoic acid Openeye Name: 4-[(3S)-3-methylpiperazin-1-yl]benzoic acid CAS Name: 4-[(3S)-3-methyl-1-piperazinyl]benzoic acid IUPAC Name: 4-[(3S)-3-methylpiperazin-1-yl]benzoic acid Traditional Name: 4-[(3S)-3-methylpiperazino]benzoic acid Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C[C@H]1CN(CCN1)C2=CC=C(C=C2)C(=O)O

InChI

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