2-[[4-(1-adamantylamino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]amino]ethyl-trimethyl-azanium

Systemtic Name: 2-[[4-(1-adamantylamino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]amino]ethyl-trimethyl-azanium Openeye Name: 2-[[4-(1-adamantylamino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]amino]ethyl-trimethyl-ammonium CAS Name: 2-[[4-(1-adamantylamino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]amino]ethyl-trimethylammonium IUPAC Name: 2-[[4-(1-adamantylamino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]amino]ethyl-trimethylazanium Traditional Name: 2-[[4-(1-adamantylamino)-6-(cycloheptylamino)-s-triazin-2-yl]amino]ethyl-trimethyl-ammonium Formula: C25H44N7+ MolecularWeight: 442.66376

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCNC1=NC(=NC(=N1)NC23CC4CC(C2)CC(C4)C3)NC5CCCCCC5

Isomeric SMILES

C[N+](C)(C)CCNC1=NC(=NC(=N1)NC23CC4CC(C2)CC(C4)C3)NC5CCCCCC5

InChI

InChI=1S/C25H44N7/c1-32(2,3)11-10-26-22-28-23(27-21-8-6-4-5-7-9-21)30-24(29-22)31-25-15-18-12-19(16-25)14-20(13-18)17-25/h18-21H,4-17H2,1-3H3,(H3,26,27,28,29,30,31)/q+1