(3R)-4-oxidanylidene-4-phenyl-3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]butanoate

Systemtic Name: (3R)-4-oxidanylidene-4-phenyl-3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]butanoate Openeye Name: (3R)-3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-oxo-4-phenyl-butanoate CAS Name: (3R)-4-oxo-4-phenyl-3-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]butanoate IUPAC Name: (3R)-3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-oxo-4-phenylbutanoate Traditional Name: (3R)-3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-keto-4-phenyl-butyrate Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CC(=O)[O-])C(=O)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](CC(=O)[O-])C(=O)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/c25-21(26)15-20(22(27)19-9-5-2-6-10-19)17-24-13-11-23(12-14-24)16-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,25,26)/t20-/m1/s1