2H-benzotriazol-5-ylmethyl-methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]azanium

Systemtic Name: 2H-benzotriazol-5-ylmethyl-methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]azanium Openeye Name: 2H-benzotriazol-5-ylmethyl-methyl-[(1S)-1-thiazol-2-ylethyl]ammonium CAS Name: 2H-benzotriazol-5-ylmethyl-methyl-[(1S)-1-(2-thiazolyl)ethyl]ammonium IUPAC Name: 2H-benzotriazol-5-ylmethyl-methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]azanium Traditional Name: 2H-benzotriazol-5-ylmethyl-methyl-[(1S)-1-thiazol-2-ylethyl]ammonium Formula: C13H16N5S+ MolecularWeight: 274.36464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=CS1)[NH+](C)CC2=CC3=NNN=C3C=C2

Isomeric SMILES

C[C@@H](C1=NC=CS1)[NH+](C)CC2=CC3=NNN=C3C=C2

InChI

InChI=1S/C13H15N5S/c1-9(13-14-5-6-19-13)18(2)8-10-3-4-11-12(7-10)16-17-15-11/h3-7,9H,8H2,1-2H3,(H,15,16,17)/p+1/t9-/m0/s1