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

Systemtic Name: 4-[[(3S)-3-ethylpiperazin-1-yl]methyl]benzoic acid Openeye Name: 4-[[(3S)-3-ethylpiperazin-1-yl]methyl]benzoic acid CAS Name: 4-[[(3S)-3-ethyl-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[[(3S)-3-ethylpiperazin-1-yl]methyl]benzoic acid Traditional Name: 4-[[(3S)-3-ethylpiperazino]methyl]benzoic acid Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC[C@H]1CN(CCN1)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H20N2O2/c1-2-13-10-16(8-7-15-13)9-11-3-5-12(6-4-11)14(17)18/h3-6,13,15H,2,7-10H2,1H3,(H,17,18)/t13-/m0/s1