2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-ethanamide

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-ethanamide Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(2-furylmethylamino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-[2-(2-furanylmethylamino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide Traditional Name: N-[2-(2-furfurylamino)-2-keto-ethyl]-N-methyl-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C22H31N4O4+ MolecularWeight: 415.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(C)CC(=O)NCC3=CC=CO3

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(C)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H30N4O4/c1-3-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)17-22(28)24(2)16-21(27)23-15-18-7-6-14-30-18/h4-9,14H,3,10-13,15-17H2,1-2H3,(H,23,27)/p+1