1-piperidin-1-ium-4-ylsulfanylphthalazine

Systemtic Name: 1-piperidin-1-ium-4-ylsulfanylphthalazine Openeye Name: 1-piperidin-1-ium-4-ylsulfanylphthalazine CAS Name: 1-(4-piperidin-1-iumylthio)phthalazine IUPAC Name: 1-piperidin-1-ium-4-ylsulfanylphthalazine Traditional Name: 1-(piperidin-1-ium-4-ylthio)phthalazine Formula: C13H16N3S+ MolecularWeight: 246.35124

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1SC2=NN=CC3=CC=CC=C32

Isomeric SMILES

C1C[NH2+]CCC1SC2=NN=CC3=CC=CC=C32

InChI

InChI=1S/C13H15N3S/c1-2-4-12-10(3-1)9-15-16-13(12)17-11-5-7-14-8-6-11/h1-4,9,11,14H,5-8H2/p+1