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

Systemtic Name: hex-5-enyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium Openeye Name: hex-5-enyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium CAS Name: hex-5-enyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium IUPAC Name: hex-5-enyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium Traditional Name: hex-5-enyl-[[(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:

C=CCCCC[NH2+]CC1OCC2=C(CO1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCCCC[NH2+]C[C@H]1OCC2=C(CO1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O4/c1-2-3-4-5-8-17-10-16-21-11-13-6-7-15(18(19)20)9-14(13)12-22-16/h2,6-7,9,16-17H,1,3-5,8,10-12H2/p+1/t16-/m0/s1