Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C32H36N4O/c1-6-36(7-2)20-10-19-33-32(37)24-17-15-23(16-18-24)27-25-13-9-12-22(4)30(25)35(5)31-26-14-8-11-21(3)28(26)34-29(27)31/h8-9,11-18H,6-7,10,19-20H2,1-5H3,(H,33,37)/p+2 |
InChIKey | InChI | 1.06 | WLKGFBFIAFQINR-UHFFFAOYSA-P |
SMILES_CANONICAL | CACTVS | 3.385 | CC[NH+](CC)CCCNC(=O)c1ccc(cc1)c2c3[nH]c4c(C)cccc4c3[n+](C)c5c(C)cccc25 |
SMILES | CACTVS | 3.385 | CC[NH+](CC)CCCNC(=O)c1ccc(cc1)c2c3[nH]c4c(C)cccc4c3[n+](C)c5c(C)cccc25 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[NH+](CC)CCCNC(=O)c1ccc(cc1)c2c3cccc(c3[n+](c4c2[nH]c5c4cccc5C)C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC[NH+](CC)CCCNC(=O)c1ccc(cc1)c2c3cccc(c3[n+](c4c2[nH]c5c4cccc5C)C)C |