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

Systemtic Name: 4-[(3S)-3-propylpiperazin-1-yl]benzoic acid Openeye Name: 4-[(3S)-3-propylpiperazin-1-yl]benzoic acid CAS Name: 4-[(3S)-3-propyl-1-piperazinyl]benzoic acid IUPAC Name: 4-[(3S)-3-propylpiperazin-1-yl]benzoic acid Traditional Name: 4-[(3S)-3-propylpiperazino]benzoic acid Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CN(CCN1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-2-3-12-10-16(9-8-15-12)13-6-4-11(5-7-13)14(17)18/h4-7,12,15H,2-3,8-10H2,1H3,(H,17,18)/t12-/m0/s1