2-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]carbamoyl]benzoate

Systemtic Name: 2-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]carbamoyl]benzoate Openeye Name: 2-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]carbamoyl]benzoate CAS Name: 2-[[4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]anilino]-oxomethyl]benzoate IUPAC Name: 2-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]carbamoyl]benzoate Traditional Name: 2-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]carbamoyl]benzoate Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C20H23N3O4/c24-14-13-22-9-11-23(12-10-22)16-7-5-15(6-8-16)21-19(25)17-3-1-2-4-18(17)20(26)27/h1-8,24H,9-14H2,(H,21,25)(H,26,27)