4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: 4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]benzoate Openeye Name: 4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]benzoate CAS Name: 4-[4-(3-phenylpropyl)-1-piperazin-4-iumyl]benzoate IUPAC Name: 4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]benzoate Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H24N2O2/c23-20(24)18-8-10-19(11-9-18)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H,23,24)