3-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-[(4-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-(4-p-toluoylpiperazin-1-ium-1-yl)propionate Formula: C15H20N2O3 MolecularWeight: 276.3309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-12-2-4-13(5-3-12)15(20)17-10-8-16(9-11-17)7-6-14(18)19/h2-5H,6-11H2,1H3,(H,18,19)