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

Systemtic Name: [2-azanyl-4-[ethyl-(phenylmethyl)amino]-6-pentyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2-amino-4-[benzyl(ethyl)amino]-6-pentyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2-amino-4-[ethyl-(phenylmethyl)amino]-6-pentyl-1,3,5-triazin-1-ium-1-yl] ester IUPAC Name: [2-amino-4-[benzyl(ethyl)amino]-6-pentyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-amino-6-amyl-4-[benzyl(ethyl)amino]-s-triazin-1-ium-1-yl] ester Formula: C17H26N5O4S+ MolecularWeight: 396.48444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=NC(=[N+]1OS(=O)(=O)O)N)N(CC)CC2=CC=CC=C2

Isomeric SMILES

CCCCCC1=NC(=NC(=[N+]1OS(=O)(=O)O)N)N(CC)CC2=CC=CC=C2

InChI

InChI=1S/C17H25N5O4S/c1-3-5-7-12-15-19-17(20-16(18)22(15)26-27(23,24)25)21(4-2)13-14-10-8-6-9-11-14/h6,8-11,18H,3-5,7,12-13H2,1-2H3,(H,23,24,25)/p+1