N-(2-adamantyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine

Systemtic Name: N-(2-adamantyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine Openeye Name: N-(2-adamantyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine CAS Name: N-(2-adamantyl)-2-(4-methyl-1-piperazin-4-iumyl)-4-quinazolin-3-iumamine IUPAC Name: N-(2-adamantyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-amine Traditional Name: 2-adamantyl-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-3-ium-4-yl]amine Formula: C23H33N5+2 MolecularWeight: 379.54162

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=[NH+]2)NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=[NH+]2)NC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C23H31N5/c1-27-6-8-28(9-7-27)23-24-20-5-3-2-4-19(20)22(26-23)25-21-17-11-15-10-16(13-17)14-18(21)12-15/h2-5,15-18,21H,6-14H2,1H3,(H,24,25,26)/p+2