(2S)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: (2S)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]propanoate Openeye Name: (2S)-2-(4-benzhydrylpiperazin-1-ium-1-yl)propanoate CAS Name: (2S)-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: (2S)-2-(4-benzhydrylpiperazin-1-ium-1-yl)propanoate Traditional Name: (2S)-2-(4-benzhydrylpiperazin-1-ium-1-yl)propionate Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH+]1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c1-16(20(23)24)21-12-14-22(15-13-21)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3,(H,23,24)/t16-/m0/s1