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

Systemtic Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoate Openeye Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoate CAS Name: (2S)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoate Traditional Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propionate Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-11-5-4-6-14(12(11)2)17-9-7-16(8-10-17)13(3)15(18)19/h4-6,13H,7-10H2,1-3H3,(H,18,19)/t13-/m0/s1