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2-cyanoethyl-ethyl-(phenylmethyl)azanium

2-cyanoethyl-ethyl-(phenylmethyl)azanium

Systemtic Name:2-cyanoethyl-ethyl-(phenylmethyl)azanium
Openeye Name:benzyl-(2-cyanoethyl)-ethyl-ammonium
CAS Name:2-cyanoethyl-ethyl-(phenylmethyl)ammonium
IUPAC Name:benzyl-(2-cyanoethyl)-ethylazanium
Traditional Name:benzyl-(2-cyanoethyl)-ethyl-ammonium
Formula: C12H17N2+
MolecularWeight: 189.27678
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC#N)CC1=CC=CC=C1


Isomeric SMILES

CC[NH+](CCC#N)CC1=CC=CC=C1


InChI

InChI=1S/C12H16N2/c1-2-14(10-6-9-13)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,10-11H2,1H3/p+1


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