3-[4-(1-adamantyl)piperazin-4-ium-1-yl]-5-phenyl-1,2,4-triazine

Systemtic Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-yl]-5-phenyl-1,2,4-triazine Openeye Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-yl]-5-phenyl-1,2,4-triazine CAS Name: 3-[4-(1-adamantyl)-1-piperazin-4-iumyl]-5-phenyl-1,2,4-triazine IUPAC Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-yl]-5-phenyl-1,2,4-triazine Traditional Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-yl]-5-phenyl-1,2,4-triazine Formula: C23H30N5+ MolecularWeight: 376.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C5=NC(=CN=N5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C5=NC(=CN=N5)C6=CC=CC=C6

InChI

InChI=1S/C23H29N5/c1-2-4-20(5-3-1)21-16-24-26-22(25-21)27-6-8-28(9-7-27)23-13-17-10-18(14-23)12-19(11-17)15-23/h1-5,16-19H,6-15H2/p+1