[(1S)-1-[4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]phenyl]ethyl]azanium Openeye Name: [(1S)-1-[4-[2-cyanoethyl(3-pyridylmethyl)amino]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[4-[2-cyanoethyl(3-pyridinylmethyl)amino]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]phenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-[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=C(C=C1)N(CCC#N)CC2=CN=CC=C2)[NH3+]

Isomeric SMILES

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

InChI

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