2-piperidin-1-ium-4-ylsulfanylquinoxaline

Systemtic Name: 2-piperidin-1-ium-4-ylsulfanylquinoxaline Openeye Name: 2-piperidin-1-ium-4-ylsulfanylquinoxaline CAS Name: 2-(4-piperidin-1-iumylthio)quinoxaline IUPAC Name: 2-piperidin-1-ium-4-ylsulfanylquinoxaline Traditional Name: 2-(piperidin-1-ium-4-ylthio)quinoxaline Formula: C13H16N3S+ MolecularWeight: 246.35124

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1SC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

C1C[NH2+]CCC1SC2=NC3=CC=CC=C3N=C2

InChI

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