Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Ic1cccc(c1)c3nc2ccc(cc2n3)c6nc4c(cc(cc4)N5CC[NH+](CC5)C)n6 |
SMILES_CANONICAL | CACTVS | 3.341 | C[NH+]1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6cccc(I)c6 |
SMILES | CACTVS | 3.341 | C[NH+]1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6cccc(I)c6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)I |
SMILES | OpenEye OEToolkits | 1.5.0 | C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)I |
InChI | InChI | 1.03 | InChI=1S/C25H23IN6/c1-31-9-11-32(12-10-31)19-6-8-21-23(15-19)30-25(28-21)17-5-7-20-22(14-17)29-24(27-20)16-3-2-4-18(26)13-16/h2-8,13-15H,9-12H2,1H3,(H,27,29)(H,28,30)/p+1 |
InChIKey | InChI | 1.03 | ZEXOKHKEQNNOBG-UHFFFAOYSA-O |