[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl] 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl] 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate Openeye Name: [(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl] 3-(furan-2-carbonylamino)-4-methyl-benzoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-4-methylbenzoic acid [(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl] ester IUPAC Name: [(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate Traditional Name: 3-(2-furoylamino)-4-methyl-benzoic acid [(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C27H30N3O5+ MolecularWeight: 476.5442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C27H29N3O5/c1-19-10-11-22(17-23(19)28-25(31)24-9-6-16-34-24)27(33)35-20(2)26(32)30-14-12-29(13-15-30)18-21-7-4-3-5-8-21/h3-11,16-17,20H,12-15,18H2,1-2H3,(H,28,31)/p+1/t20-/m1/s1