2-methyl-2-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanoate

Systemtic Name: 2-methyl-2-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanoate Openeye Name: 2-methyl-2-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanoate CAS Name: 2-methyl-2-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]propanoate IUPAC Name: 2-methyl-2-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanoate Traditional Name: 2-methyl-2-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propionate Formula: C15H22N2O2 MolecularWeight: 262.34738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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