[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]-(4-pyridylmethyl)ammonium CAS Name: [(1S)-1-(4-methyl-3-nitrophenyl)ethyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(1S)-1-(4-methyl-3-nitrophenyl)ethyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]-(4-pyridylmethyl)ammonium Formula: C15H18N3O2+ MolecularWeight: 272.32232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)[NH2+]CC2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)[NH2+]CC2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O2/c1-11-3-4-14(9-15(11)18(19)20)12(2)17-10-13-5-7-16-8-6-13/h3-9,12,17H,10H2,1-2H3/p+1/t12-/m0/s1