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

Systemtic Name: 5-[(1S)-1-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate Openeye Name: 5-[(1S)-1-(4-benzhydrylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-[4-(diphenylmethyl)-1-piperazin-1-iumyl]ethyl]-2-furancarboxylate IUPAC Name: 5-[(1S)-1-(4-benzhydrylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-(4-benzhydrylpiperazin-1-ium-1-yl)ethyl]-2-furoate Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)[O-])[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)[O-])[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3/c1-18(21-12-13-22(29-21)24(27)28)25-14-16-26(17-15-25)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,23H,14-17H2,1H3,(H,27,28)/t18-/m0/s1