[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(4-nitrophenyl)methyl]azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(4-nitrophenyl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(4-nitrophenyl)methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(4-nitrophenyl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(4-nitrobenzyl)ammonium Formula: C16H17N2O4+ MolecularWeight: 301.31718

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C[NH2+]CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C[NH2+]CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4/c19-18(20)13-7-5-12(6-8-13)9-17-10-14-11-21-15-3-1-2-4-16(15)22-14/h1-8,14,17H,9-11H2/p+1/t14-/m0/s1