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

Systemtic Name: [(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: [(1S)-1-(4-methyl-3-nitrophenyl)ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: benzyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C16H19N2O2+ MolecularWeight: 271.33426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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