[(5R)-5-[7-[(3,5-dimethoxyphenyl)methoxy]-1,1-bis(oxidanylidene)-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-5-ium-2-yl]-6-(oxidanylamino)-6-oxidanylidene-hexyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(5R)-5-[7-[(3,5-dimethoxyphenyl)methoxy]-1,1-bis(oxidanylidene)-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-5-ium-2-yl]-6-(oxidanylamino)-6-oxidanylidene-hexyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(5R)-5-[7-[(3,5-dimethoxyphenyl)methoxy]-1,1-dioxo-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-5-ium-2-yl]-6-(hydroxyamino)-6-oxo-hexyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(5R)-5-[7-[(3,5-dimethoxyphenyl)methoxy]-1,1-dioxo-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-5-ium-2-yl]-6-(hydroxyamino)-6-oxohexyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(5R)-5-[7-[(3,5-dimethoxyphenyl)methoxy]-1,1-dioxo-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-5-ium-2-yl]-6-(hydroxyamino)-6-oxohexyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(5R)-5-[7-(3,5-dimethoxybenzyl)oxy-1,1-diketo-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-5-ium-2-yl]-6-(hydroxyamino)-6-keto-hexyl]ammonium; 2,2,2-trifluoroacetate Formula: C27H34F6N4O11S MolecularWeight: 736.634479

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)COC2=CC3=C(C=C2)S(=O)(=O)N(CC[NH2+]3)C(CCCC[NH3+])C(=O)NO)OC.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1)COC2=CC3=C(C=C2)S(=O)(=O)N(CC[NH2+]3)[C@H](CCCC[NH3+])C(=O)NO)OC.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C23H32N4O7S.2C2HF3O2/c1-32-18-11-16(12-19(13-18)33-2)15-34-17-6-7-22-20(14-17)25-9-10-27(35(22,30)31)21(23(28)26-29)5-3-4-8-24;2*3-2(4,5)1(6)7/h6-7,11-14,21,25,29H,3-5,8-10,15,24H2,1-2H3,(H,26,28);2*(H,6,7)/t21-;;/m1../s1