4-(furan-2-ylmethyl)-N-propyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(furan-2-ylmethyl)-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-(2-furylmethyl)-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 4-(2-furanylmethyl)-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(furan-2-ylmethyl)-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 4-(2-furfuryl)-N-propyl-piperazin-4-ium-1-carboxamide Formula: C13H22N3O2+ MolecularWeight: 252.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[NH+](CC1)CC2=CC=CO2

Isomeric SMILES

CCCNC(=O)N1CC[NH+](CC1)CC2=CC=CO2

InChI

InChI=1S/C13H21N3O2/c1-2-5-14-13(17)16-8-6-15(7-9-16)11-12-4-3-10-18-12/h3-4,10H,2,5-9,11H2,1H3,(H,14,17)/p+1