[(1S)-1-(3-nitrophenyl)butyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(1S)-1-(3-nitrophenyl)butyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(1S)-1-(3-nitrophenyl)butyl]-(4-pyridylmethyl)ammonium CAS Name: [(1S)-1-(3-nitrophenyl)butyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(1S)-1-(3-nitrophenyl)butyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(1S)-1-(3-nitrophenyl)butyl]-(4-pyridylmethyl)ammonium Formula: C16H20N3O2+ MolecularWeight: 286.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC=C1)[N+](=O)[O-])[NH2+]CC2=CC=NC=C2

Isomeric SMILES

CCC[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH2+]CC2=CC=NC=C2

InChI

InChI=1S/C16H19N3O2/c1-2-4-16(18-12-13-7-9-17-10-8-13)14-5-3-6-15(11-14)19(20)21/h3,5-11,16,18H,2,4,12H2,1H3/p+1/t16-/m0/s1