5-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-furoate Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)C(=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)C(=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O3/c26-23(27)21-12-11-20(28-21)17-24-13-15-25(16-14-24)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,22H,13-17H2,(H,26,27)