2-(benzotriazol-1-ylmethylsulfanyl)ethyl-(phenylmethyl)azanium

Systemtic Name: 2-(benzotriazol-1-ylmethylsulfanyl)ethyl-(phenylmethyl)azanium Openeye Name: 2-(benzotriazol-1-ylmethylsulfanyl)ethyl-benzyl-ammonium CAS Name: 2-(1-benzotriazolylmethylthio)ethyl-(phenylmethyl)ammonium IUPAC Name: 2-(benzotriazol-1-ylmethylsulfanyl)ethyl-benzylazanium Traditional Name: 2-(benzotriazol-1-ylmethylthio)ethyl-benzyl-ammonium Formula: C16H19N4S+ MolecularWeight: 299.41386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CCSCN2C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CCSCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H18N4S/c1-2-6-14(7-3-1)12-17-10-11-21-13-20-16-9-5-4-8-15(16)18-19-20/h1-9,17H,10-13H2/p+1