(3-nitrophenyl)methyl-[(1S)-1-pyridin-4-ylethyl]azanium

Systemtic Name: (3-nitrophenyl)methyl-[(1S)-1-pyridin-4-ylethyl]azanium Openeye Name: (3-nitrophenyl)methyl-[(1S)-1-(4-pyridyl)ethyl]ammonium CAS Name: (3-nitrophenyl)methyl-[(1S)-1-pyridin-4-ylethyl]ammonium IUPAC Name: (3-nitrophenyl)methyl-[(1S)-1-pyridin-4-ylethyl]azanium Traditional Name: (3-nitrobenzyl)-[(1S)-1-(4-pyridyl)ethyl]ammonium Formula: C14H16N3O2+ MolecularWeight: 258.29574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O2/c1-11(13-5-7-15-8-6-13)16-10-12-3-2-4-14(9-12)17(18)19/h2-9,11,16H,10H2,1H3/p+1/t11-/m0/s1