6-(4-chloranyl-3-methyl-phenyl)-3-[(2R)-pyrrolidin-1-ium-2-yl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Systemtic Name: 6-(4-chloranyl-3-methyl-phenyl)-3-[(2R)-pyrrolidin-1-ium-2-yl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine Openeye Name: 6-(4-chloro-3-methyl-phenyl)-3-[(2R)-pyrrolidin-1-ium-2-yl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine CAS Name: 6-(4-chloro-3-methylphenyl)-3-[(2R)-2-pyrrolidin-1-iumyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine IUPAC Name: 6-(4-chloro-3-methylphenyl)-3-[(2R)-pyrrolidin-1-ium-2-yl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine Traditional Name: 6-(4-chloro-3-methyl-phenyl)-3-[(2R)-pyrrolidin-1-ium-2-yl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine Formula: C15H17ClN5S+ MolecularWeight: 334.84698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CSC3=NN=C(N3N2)C4CCC[NH2+]4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CSC3=NN=C(N3N2)[C@H]4CCC[NH2+]4)Cl

InChI

InChI=1S/C15H16ClN5S/c1-9-7-10(4-5-11(9)16)13-8-22-15-19-18-14(21(15)20-13)12-3-2-6-17-12/h4-5,7-8,12,17,20H,2-3,6H2,1H3/p+1/t12-/m1/s1