4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzoate IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)benzoate Formula: C19H20N2O3 MolecularWeight: 324.3737

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H20N2O3/c22-18(16-6-8-17(9-7-16)19(23)24)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,23,24)