methyl 2-[2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]ethanoyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]ethanoyl-methyl-amino]benzoate Openeye Name: methyl 2-[[2-[4-(2-furylmethyl)piperazin-1-ium-1-yl]acetyl]-methyl-amino]benzoate CAS Name: 2-[[2-[4-(2-furanylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]-methylamino]benzoate Traditional Name: 2-[[2-[4-(2-furfuryl)piperazin-1-ium-1-yl]acetyl]-methyl-amino]benzoic acid methyl ester Formula: C20H26N3O4+ MolecularWeight: 372.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C(=O)C[NH+]2CCN(CC2)CC3=CC=CO3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C(=O)C[NH+]2CCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C20H25N3O4/c1-21(18-8-4-3-7-17(18)20(25)26-2)19(24)15-23-11-9-22(10-12-23)14-16-6-5-13-27-16/h3-8,13H,9-12,14-15H2,1-2H3/p+1