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

Systemtic Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-methyl-butanoate Openeye Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-methyl-butanoate CAS Name: (2S)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-methylbutanoate IUPAC Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-methylbutanoate Traditional Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-methyl-butyrate Formula: C15H21ClN2O2 MolecularWeight: 296.79244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O2/c1-11(2)14(15(19)20)18-8-6-17(7-9-18)13-5-3-4-12(16)10-13/h3-5,10-11,14H,6-9H2,1-2H3,(H,19,20)/t14-/m0/s1