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

Systemtic Name: [(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium CAS Name: [(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium Traditional Name: benzyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium Formula: C17H19N2O4+ MolecularWeight: 315.34376

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(COC(O1)C[NH2+]CC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C2=C(CO[C@H](O1)C[NH2+]CC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O4/c20-19(21)16-7-6-14-11-22-17(23-12-15(14)8-16)10-18-9-13-4-2-1-3-5-13/h1-8,17-18H,9-12H2/p+1/t17-/m0/s1