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

Systemtic Name: 4-(furan-2-ylmethyl)-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-(2-furylmethyl)-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-(2-furanylmethyl)-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(furan-2-ylmethyl)-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-(2-furfuryl)-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C16H20N3O2+ MolecularWeight: 286.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H19N3O2/c20-16(17-14-5-2-1-3-6-14)19-10-8-18(9-11-19)13-15-7-4-12-21-15/h1-7,12H,8-11,13H2,(H,17,20)/p+1