4-(3-piperazin-1-ylpropyl)benzoic acid

Systemtic Name: 4-(3-piperazin-1-ylpropyl)benzoic acid Openeye Name: 4-(3-piperazin-1-ylpropyl)benzoic acid CAS Name: 4-[3-(1-piperazinyl)propyl]benzoic acid IUPAC Name: 4-(3-piperazin-1-ylpropyl)benzoic acid Traditional Name: 4-(3-piperazinopropyl)benzoic acid Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CN(CCN1)CCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H20N2O2/c17-14(18)13-5-3-12(4-6-13)2-1-9-16-10-7-15-8-11-16/h3-6,15H,1-2,7-11H2,(H,17,18)