3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-2,2-dimethyl-propanoate

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-2,2-dimethyl-propanoate Openeye Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-2,2-dimethyl-propanoate CAS Name: 3-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-2,2-dimethylpropanoate IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-2,2-dimethylpropanoate Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-2,2-dimethyl-propionate Formula: C17H26N2O2 MolecularWeight: 290.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(C)(C)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(C)(C)C(=O)[O-])C

InChI

InChI=1S/C17H26N2O2/c1-13-6-5-7-15(14(13)2)19-10-8-18(9-11-19)12-17(3,4)16(20)21/h5-7H,8-12H2,1-4H3,(H,20,21)