[1-azaniumylpropan-2-yl(propan-2-yl)azaniumyl]methanethioate

Systemtic Name: [1-azaniumylpropan-2-yl(propan-2-yl)azaniumyl]methanethioate Openeye Name: [(2-azaniumyl-1-methyl-ethyl)-isopropyl-ammonio]methanethioate CAS Name: [1-ammoniopropan-2-yl(propan-2-yl)ammonio]methanethioate IUPAC Name: [1-azaniumylpropan-2-yl(propan-2-yl)azaniumyl]methanethioate Traditional Name: [(2-ammonio-1-methyl-ethyl)-isopropyl-ammonio]thioformate Formula: C7H17N2OS+ MolecularWeight: 177.28768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C(C)C[NH3+])C(=S)[O-]

Isomeric SMILES

CC(C)[NH+](C(C)C[NH3+])C(=S)[O-]

InChI

InChI=1S/C7H16N2OS/c1-5(2)9(7(10)11)6(3)4-8/h5-6H,4,8H2,1-3H3,(H,10,11)/p+1