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

Systemtic Name: 3-methylbutyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium Openeye Name: isopentyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium CAS Name: 3-methylbutyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium IUPAC Name: 3-methylbutyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium Traditional Name: isoamyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium Formula: C15H23N2O4+ MolecularWeight: 295.35412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-11(2)5-6-16-8-15-20-9-12-3-4-14(17(18)19)7-13(12)10-21-15/h3-4,7,11,15-16H,5-6,8-10H2,1-2H3/p+1/t15-/m0/s1