2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-ethanamide

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[2-(2-furylmethylamino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-[2-(2-furanylmethylamino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[2-(2-furfurylamino)-2-keto-ethyl]-N-methyl-acetamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N(C)CC(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N(C)CC(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C22H30N4O3/c1-17-6-4-8-20(18(17)2)26-11-9-25(10-12-26)16-22(28)24(3)15-21(27)23-14-19-7-5-13-29-19/h4-8,13H,9-12,14-16H2,1-3H3,(H,23,27)/p+1