3-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate

Systemtic Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate Openeye Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate CAS Name: 3-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzoate IUPAC Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate Traditional Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate Formula: C18H20N2O2 MolecularWeight: 296.3636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2/c21-18(22)16-6-4-5-15(13-16)14-19-9-11-20(12-10-19)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,21,22)