bis[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[(5-methoxycarbonylfuran-2-yl)methyl]azanium

Systemtic Name: bis[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[(5-methoxycarbonylfuran-2-yl)methyl]azanium Openeye Name: bis[2-(2,6-dimethylanilino)-2-oxo-ethyl]-[(5-methoxycarbonyl-2-furyl)methyl]ammonium CAS Name: bis[2-(2,6-dimethylanilino)-2-oxoethyl]-[(5-methoxycarbonyl-2-furanyl)methyl]ammonium IUPAC Name: bis[2-(2,6-dimethylanilino)-2-oxoethyl]-[(5-methoxycarbonylfuran-2-yl)methyl]azanium Traditional Name: (5-carbomethoxy-2-furyl)methyl-bis[2-(2,6-dimethylanilino)-2-keto-ethyl]ammonium Formula: C27H32N3O5+ MolecularWeight: 478.56008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](CC2=CC=C(O2)C(=O)OC)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](CC2=CC=C(O2)C(=O)OC)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C27H31N3O5/c1-17-8-6-9-18(2)25(17)28-23(31)15-30(14-21-12-13-22(35-21)27(33)34-5)16-24(32)29-26-19(3)10-7-11-20(26)4/h6-13H,14-16H2,1-5H3,(H,28,31)(H,29,32)/p+1