[2-azanyl-4-[ethyl-(phenylmethyl)amino]-6-hexyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate

Systemtic Name: [2-azanyl-4-[ethyl-(phenylmethyl)amino]-6-hexyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2-amino-4-[benzyl(ethyl)amino]-6-hexyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2-amino-4-[ethyl-(phenylmethyl)amino]-6-hexyl-1,3,5-triazin-1-ium-1-yl] ester IUPAC Name: [2-amino-4-[benzyl(ethyl)amino]-6-hexyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-amino-4-[benzyl(ethyl)amino]-6-hexyl-s-triazin-1-ium-1-yl] ester Formula: C18H28N5O4S+ MolecularWeight: 410.51102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=NC(=[N+]1OS(=O)(=O)O)N)N(CC)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=NC(=NC(=[N+]1OS(=O)(=O)O)N)N(CC)CC2=CC=CC=C2

InChI

InChI=1S/C18H27N5O4S/c1-3-5-6-10-13-16-20-18(21-17(19)23(16)27-28(24,25)26)22(4-2)14-15-11-8-7-9-12-15/h7-9,11-12,19H,3-6,10,13-14H2,1-2H3,(H,24,25,26)/p+1