6-methyl-3-piperazin-4-ium-1-yl-5-pyrrolidin-1-yl-1,2,4-triazin-4-ium

Systemtic Name: 6-methyl-3-piperazin-4-ium-1-yl-5-pyrrolidin-1-yl-1,2,4-triazin-4-ium Openeye Name: 6-methyl-3-piperazin-4-ium-1-yl-5-pyrrolidin-1-yl-1,2,4-triazin-4-ium CAS Name: 6-methyl-3-(1-piperazin-4-iumyl)-5-(1-pyrrolidinyl)-1,2,4-triazin-4-ium IUPAC Name: 6-methyl-3-piperazin-4-ium-1-yl-5-pyrrolidin-1-yl-1,2,4-triazin-4-ium Traditional Name: 6-methyl-3-piperazin-4-ium-1-yl-5-pyrrolidino-1,2,4-triazin-4-ium Formula: C12H22N6+2 MolecularWeight: 250.34328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=C(N=N1)N2CC[NH2+]CC2)N3CCCC3

Isomeric SMILES

CC1=C([NH+]=C(N=N1)N2CC[NH2+]CC2)N3CCCC3

InChI

InChI=1S/C12H20N6/c1-10-11(17-6-2-3-7-17)14-12(16-15-10)18-8-4-13-5-9-18/h13H,2-9H2,1H3/p+2