N-butyl-4-methyl-5-(3-methylphenyl)-1,3,4-thiadiazol-4-ium-2-amine chloride

Systemtic Name: N-butyl-4-methyl-5-(3-methylphenyl)-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: N-butyl-4-methyl-5-(m-tolyl)-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: N-butyl-4-methyl-5-(3-methylphenyl)-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: N-butyl-4-methyl-5-(3-methylphenyl)-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: butyl-[4-methyl-5-(m-tolyl)-1,3,4-thiadiazol-4-ium-2-yl]amine chloride Formula: C14H20ClN3S MolecularWeight: 297.8467

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=N[N+](=C(S1)C2=CC(=CC=C2)C)C.[Cl-]

Isomeric SMILES

CCCCNC1=N[N+](=C(S1)C2=CC(=CC=C2)C)C.[Cl-]

InChI

InChI=1S/C14H20N3S.ClH/c1-4-5-9-15-14-16-17(3)13(18-14)12-8-6-7-11(2)10-12;/h6-8,10H,4-5,9H2,1-3H3,(H,15,16);1H/q+1;/p-1