6-methyl-2-piperidin-1-ium-4-ylsulfanyl-1,3-benzoxazole

Systemtic Name: 6-methyl-2-piperidin-1-ium-4-ylsulfanyl-1,3-benzoxazole Openeye Name: 6-methyl-2-piperidin-1-ium-4-ylsulfanyl-1,3-benzoxazole CAS Name: 6-methyl-2-(4-piperidin-1-iumylthio)-1,3-benzoxazole IUPAC Name: 6-methyl-2-piperidin-1-ium-4-ylsulfanyl-1,3-benzoxazole Traditional Name: 6-methyl-2-(piperidin-1-ium-4-ylthio)-1,3-benzoxazole Formula: C13H17N2OS+ MolecularWeight: 249.35188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)SC3CC[NH2+]CC3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)SC3CC[NH2+]CC3

InChI

InChI=1S/C13H16N2OS/c1-9-2-3-11-12(8-9)16-13(15-11)17-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3/p+1