2-(azocan-1-ium-1-ylmethyl)-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 2-(1-azocan-1-iumylmethyl)-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C14H22N4OS+2 MolecularWeight: 294.41568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+]2=C(N1)SC(=N2)C[NH+]3CCCCCCC3

Isomeric SMILES

CC1=CC(=O)[N+]2=C(N1)SC(=N2)C[NH+]3CCCCCCC3

InChI

InChI=1S/C14H20N4OS/c1-11-9-13(19)18-14(15-11)20-12(16-18)10-17-7-5-3-2-4-6-8-17/h9H,2-8,10H2,1H3/p+2