(2S)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-3-methyl-butanoate

Systemtic Name: (2S)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-3-methyl-butanoate Openeye Name: (2S)-2-(4-benzhydrylpiperazin-1-ium-1-yl)-3-methyl-butanoate CAS Name: (2S)-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-3-methylbutanoate IUPAC Name: (2S)-2-(4-benzhydrylpiperazin-1-ium-1-yl)-3-methylbutanoate Traditional Name: (2S)-2-(4-benzhydrylpiperazin-1-ium-1-yl)-3-methyl-butyrate Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-17(2)20(22(25)26)23-13-15-24(16-14-23)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3,(H,25,26)/t20-/m0/s1