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benzotriazol-1-ylmethyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

benzotriazol-1-ylmethyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name:benzotriazol-1-ylmethyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium
Openeye Name:benzotriazol-1-ylmethyl-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium
CAS Name:1-benzotriazolylmethyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium
IUPAC Name:benzotriazol-1-ylmethyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
Traditional Name:benzotriazol-1-ylmethyl-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium
Formula: C16H20N5OS+
MolecularWeight: 330.4279
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NCC1=CC=CS1)CN2C3=CC=CC=C3N=N2


Isomeric SMILES

CC[NH+](CC(=O)NCC1=CC=CS1)CN2C3=CC=CC=C3N=N2


InChI

InChI=1S/C16H19N5OS/c1-2-20(11-16(22)17-10-13-6-5-9-23-13)12-21-15-8-4-3-7-14(15)18-19-21/h3-9H,2,10-12H2,1H3,(H,17,22)/p+1


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