2-(2-ethoxy-5-piperazin-4-ium-1-ylsulfonyl-phenyl)-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one

Systemtic Name: 2-(2-ethoxy-5-piperazin-4-ium-1-ylsulfonyl-phenyl)-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one Openeye Name: 2-(2-ethoxy-5-piperazin-4-ium-1-ylsulfonyl-phenyl)-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one CAS Name: 2-[2-ethoxy-5-(1-piperazin-4-iumylsulfonyl)phenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one IUPAC Name: 2-(2-ethoxy-5-piperazin-4-ium-1-ylsulfonylphenyl)-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one Traditional Name: 2-(2-ethoxy-5-piperazin-4-ium-1-ylsulfonyl-phenyl)-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one Formula: C21H29N6O4S+ MolecularWeight: 461.55776

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CC[NH2+]CC4)OCC)C

Isomeric SMILES

CCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CC[NH2+]CC4)OCC)C

InChI

InChI=1S/C21H28N6O4S/c1-4-6-18-23-14(3)19-21(28)24-20(25-27(18)19)16-13-15(7-8-17(16)31-5-2)32(29,30)26-11-9-22-10-12-26/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,24,25,28)/p+1