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

Systemtic Name: 4-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propoxy]benzoate Openeye Name: 4-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]benzoate CAS Name: 4-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propoxy]benzoate IUPAC Name: 4-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]benzoate Traditional Name: 4-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]benzoate Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=C(C=C2)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=C(C=C2)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3/c24-21(25)19-7-9-20(10-8-19)26-16-4-11-22-12-14-23(15-13-22)17-18-5-2-1-3-6-18/h1-3,5-10H,4,11-17H2,(H,24,25)