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

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]butanoate Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]butanoate CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]butanoate IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]butanoate Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]butyrate Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-13-5-3-6-15(14(13)2)18-11-9-17(10-12-18)8-4-7-16(19)20/h3,5-6H,4,7-12H2,1-2H3,(H,19,20)