[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]-prop-2-enyl-azanium

Systemtic Name: [(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: [(1S)-1-(4-methyl-3-nitrophenyl)ethyl]-prop-2-enylammonium IUPAC Name: [(1S)-1-(4-methyl-3-nitrophenyl)ethyl]-prop-2-enylazanium Traditional Name: allyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C12H17N2O2+ MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2/c1-4-7-13-10(3)11-6-5-9(2)12(8-11)14(15)16/h4-6,8,10,13H,1,7H2,2-3H3/p+1/t10-/m0/s1