4-(1-methylpiperazin-1-ium-1-yl)but-2-ynoic acid

Systemtic Name: 4-(1-methylpiperazin-1-ium-1-yl)but-2-ynoic acid Openeye Name: 4-(1-methylpiperazin-1-ium-1-yl)but-2-ynoic acid CAS Name: 4-(1-methyl-1-piperazin-1-iumyl)-2-butynoic acid IUPAC Name: 4-(1-methylpiperazin-1-ium-1-yl)but-2-ynoic acid Traditional Name: 4-(1-methylpiperazin-1-ium-1-yl)but-2-ynoic acid Formula: C9H15N2O2+ MolecularWeight: 183.2276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CC#CC(=O)O

Isomeric SMILES

C[N+]1(CCNCC1)CC#CC(=O)O

InChI

InChI=1S/C9H14N2O2/c1-11(6-2-3-9(12)13)7-4-10-5-8-11/h10H,4-8H2,1H3/p+1