[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2-methoxy-5-nitro-phenyl)methyl]-methyl-azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2-methoxy-5-nitro-phenyl)methyl]-methyl-azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2-methoxy-5-nitro-phenyl)methyl]-methyl-ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2-methoxy-5-nitrophenyl)methyl]-methylammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2-methoxy-5-nitrophenyl)methyl]-methylazanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(2-methoxy-5-nitro-benzyl)-methyl-ammonium Formula: C18H21N2O5+ MolecularWeight: 345.36974

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1COC2=CC=CC=C2O1)CC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

C[NH+](C[C@H]1COC2=CC=CC=C2O1)CC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O5/c1-19(10-13-9-14(20(21)22)7-8-16(13)23-2)11-15-12-24-17-5-3-4-6-18(17)25-15/h3-9,15H,10-12H2,1-2H3/p+1/t15-/m0/s1