2-cyanoethyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 2-cyanoethyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-(2-cyanoethyl)-isopropyl-ammonium CAS Name: 2-cyanoethyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-(2-cyanoethyl)-propan-2-ylazanium Traditional Name: benzyl-(2-cyanoethyl)-isopropyl-ammonium Formula: C13H19N2+ MolecularWeight: 203.30336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2/c1-12(2)15(10-6-9-14)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,10-11H2,1-2H3/p+1