Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Ic1c(OC)ccc(c1)c3nc2ccc(cc2n3)c6nc4c(cc(cc4)N5CC[NH+](CC5)C)n6 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1I)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CC[NH+](C)CC6 |
SMILES | CACTVS | 3.341 | COc1ccc(cc1I)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CC[NH+](C)CC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(c(c6)I)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(c(c6)I)OC |
InChI | InChI | 1.03 | InChI=1S/C26H25IN6O/c1-32-9-11-33(12-10-32)18-5-7-21-23(15-18)31-26(29-21)17-3-6-20-22(14-17)30-25(28-20)16-4-8-24(34-2)19(27)13-16/h3-8,13-15H,9-12H2,1-2H3,(H,28,30)(H,29,31)/p+1 |
InChIKey | InChI | 1.03 | SPTCBHDLCJPQQB-UHFFFAOYSA-O |