[(1S)-1-(2-methylphenyl)ethyl]-[(3-nitrophenyl)methyl]azanium

Systemtic Name: [(1S)-1-(2-methylphenyl)ethyl]-[(3-nitrophenyl)methyl]azanium Openeye Name: (3-nitrophenyl)methyl-[(1S)-1-(o-tolyl)ethyl]ammonium CAS Name: [(1S)-1-(2-methylphenyl)ethyl]-[(3-nitrophenyl)methyl]ammonium IUPAC Name: [(1S)-1-(2-methylphenyl)ethyl]-[(3-nitrophenyl)methyl]azanium Traditional Name: (3-nitrobenzyl)-[(1S)-1-(o-tolyl)ethyl]ammonium Formula: C16H19N2O2+ MolecularWeight: 271.33426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)[NH2+]CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2/c1-12-6-3-4-9-16(12)13(2)17-11-14-7-5-8-15(10-14)18(19)20/h3-10,13,17H,11H2,1-2H3/p+1/t13-/m0/s1