[(1S)-1-[2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-[2-cyanoethyl(3-pyridylmethyl)amino]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-[2-cyanoethyl(3-pyridinylmethyl)amino]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]phenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-[2-cyanoethyl(3-pyridylmethyl)amino]phenyl]ethyl]ammonium Formula: C17H21N4+ MolecularWeight: 281.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1N(CCC#N)CC2=CN=CC=C2)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1N(CCC#N)CC2=CN=CC=C2)[NH3+]

InChI

InChI=1S/C17H20N4/c1-14(19)16-7-2-3-8-17(16)21(11-5-9-18)13-15-6-4-10-20-12-15/h2-4,6-8,10,12,14H,5,11,13,19H2,1H3/p+1/t14-/m0/s1