5O2
Summary
Name: | 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine |
Synonyms: | anti TZ2PA5 |
Formula: | C41 H43 N8 |
Formal charge: | 1 |
Formula weight: | 647.834 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.4 | 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C41H42N8/c42-29-18-20-32-33-21-19-30(43)26-39(33)49(41(36(32)25-29)28-11-3-1-4-12-28)23-10-2-5-13-31-27-48(47-46-31)24-22-44-40-34-14-6-8-16-37(34)45-38-17-9-7-15-35(38)40/h1,3-4,6,8,11-12,14,16,18-21,25-27,43H,2,5,7,9-10,13,15,17,22-24,42H2,(H,44,45)/p+1 |
InChIKey | InChI | 1.03 | XIORYVGXAQRYQA-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2c3ccc(N)cc3[n+](CCCCCc4cn(CCNc5c6CCCCc6nc7ccccc57)nn4)c(c8ccccc8)c2c1 |
SMILES | CACTVS | 3.385 | Nc1ccc2c3ccc(N)cc3[n+](CCCCCc4cn(CCNc5c6CCCCc6nc7ccccc57)nn4)c(c8ccccc8)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N |
SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N |