cyclohexyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium

Systemtic Name: cyclohexyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium Openeye Name: cyclohexyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium CAS Name: cyclohexyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium IUPAC Name: cyclohexyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium Traditional Name: cyclohexyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium Formula: C16H23N2O4+ MolecularWeight: 307.36482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]CC2OCC3=C(CO2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH2+]C[C@H]2OCC3=C(CO2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O4/c19-18(20)15-7-6-12-10-21-16(22-11-13(12)8-15)9-17-14-4-2-1-3-5-14/h6-8,14,16-17H,1-5,9-11H2/p+1/t16-/m0/s1