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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-2-methyl-propanoate Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-2-methyl-propanoate CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-2-methylpropanoate IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-2-methylpropanoate Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-2-methyl-propionate Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-21(2,20(24)25)23-15-13-22(14-16-23)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3,(H,24,25)