[(6S)-3,3-dimethyl-6-nitro-5-oxidanylidene-cyclohexen-1-yl]-(phenylmethyl)azanium

Systemtic Name: [(6S)-3,3-dimethyl-6-nitro-5-oxidanylidene-cyclohexen-1-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(6S)-3,3-dimethyl-6-nitro-5-oxo-cyclohexen-1-yl]ammonium CAS Name: [(6S)-3,3-dimethyl-6-nitro-5-oxo-1-cyclohexenyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(6S)-3,3-dimethyl-6-nitro-5-oxocyclohexen-1-yl]azanium Traditional Name: benzyl-[(6S)-5-keto-3,3-dimethyl-6-nitro-cyclohexen-1-yl]ammonium Formula: C15H19N2O3+ MolecularWeight: 275.32296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3/c1-15(2)8-12(14(17(19)20)13(18)9-15)16-10-11-6-4-3-5-7-11/h3-8,14,16H,9-10H2,1-2H3/p+1/t14-/m0/s1